# generated using pymatgen
data_LiZr5TlF22
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.16327000
_cell_length_b   8.16330600
_cell_length_c   11.83876700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr5TlF22
_chemical_formula_sum   'Li2 Zr10 Tl2 F44'
_cell_volume   788.92680207
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Li  Li0  1  0.50000000  0.24959600  0.00000000  1
  Li  Li1  1  0.00000000  0.74959600  0.00000000  1
  Zr  Zr2  1  0.17982700  0.56978500  0.25471300  1
  Zr  Zr3  1  0.68039800  0.42999000  0.25491000  1
  Zr  Zr4  1  0.32017300  0.06978500  0.25471300  1
  Zr  Zr5  1  0.81960200  0.92999000  0.25491000  1
  Zr  Zr6  1  0.31960200  0.42999000  0.74509000  1
  Zr  Zr7  1  0.82017300  0.56978500  0.74528700  1
  Zr  Zr8  1  0.18039800  0.92999000  0.74509000  1
  Zr  Zr9  1  0.67982700  0.06978500  0.74528700  1
  Zr  Zr10  1  0.50000000  0.74997200  0.50000000  1
  Zr  Zr11  1  0.00000000  0.24997200  0.50000000  1
  Tl  Tl12  1  0.50000000  0.73554800  0.00000000  1
  Tl  Tl13  1  0.00000000  0.23554800  0.00000000  1
  F  F14  1  0.13936100  0.61089700  0.08769300  1
  F  F15  1  0.63905300  0.38931300  0.08757500  1
  F  F16  1  0.36063900  0.11089700  0.08769300  1
  F  F17  1  0.86094700  0.88931300  0.08757500  1
  F  F18  1  0.36094700  0.38931300  0.91242500  1
  F  F19  1  0.86063900  0.61089700  0.91230700  1
  F  F20  1  0.13905300  0.88931300  0.91242500  1
  F  F21  1  0.63936100  0.11089700  0.91230700  1
  F  F22  1  0.29913600  0.66361000  0.40177000  1
  F  F23  1  0.79910000  0.33633500  0.40179500  1
  F  F24  1  0.20086400  0.16361000  0.40177000  1
  F  F25  1  0.70090000  0.83633500  0.40179500  1
  F  F26  1  0.20090000  0.33633500  0.59820500  1
  F  F27  1  0.70086400  0.66361000  0.59823000  1
  F  F28  1  0.29910000  0.83633500  0.59820500  1
  F  F29  1  0.79913600  0.16361000  0.59823000  1
  F  F30  1  0.41360000  0.54909700  0.59825800  1
  F  F31  1  0.08640000  0.04909700  0.59825800  1
  F  F32  1  0.91367400  0.45086800  0.59818200  1
  F  F33  1  0.58632600  0.95086800  0.59818200  1
  F  F34  1  0.08632600  0.45086800  0.40181800  1
  F  F35  1  0.41367400  0.95086800  0.40181800  1
  F  F36  1  0.58640000  0.54909700  0.40174200  1
  F  F37  1  0.91360000  0.04909700  0.40174200  1
  F  F38  1  0.28653300  0.82063000  0.21350700  1
  F  F39  1  0.78658400  0.17933200  0.21343100  1
  F  F40  1  0.21346700  0.32063000  0.21350700  1
  F  F41  1  0.71341600  0.67933200  0.21343100  1
  F  F42  1  0.21341600  0.17933200  0.78656900  1
  F  F43  1  0.71346700  0.82063000  0.78649300  1
  F  F44  1  0.28658400  0.67933200  0.78656900  1
  F  F45  1  0.78653300  0.32063000  0.78649300  1
  F  F46  1  0.57056300  0.53654000  0.78658500  1
  F  F47  1  0.92943700  0.03654000  0.78658500  1
  F  F48  1  0.07072400  0.46344200  0.78646600  1
  F  F49  1  0.42927600  0.96344200  0.78646600  1
  F  F50  1  0.92927600  0.46344200  0.21353400  1
  F  F51  1  0.57072400  0.96344200  0.21353400  1
  F  F52  1  0.42943700  0.53654000  0.21341500  1
  F  F53  1  0.07056300  0.03654000  0.21341500  1
  F  F54  1  0.50009000  0.25005000  0.29993600  1
  F  F55  1  0.99991000  0.75005000  0.29993600  1
  F  F56  1  0.00009000  0.75005000  0.70006400  1
  F  F57  1  0.49991000  0.25005000  0.70006400  1
