# generated using pymatgen
data_Li3YBr6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93736952
_cell_length_b   6.93736952
_cell_length_c   13.40124689
_cell_angle_alpha   85.14691023
_cell_angle_beta   85.14691023
_cell_angle_gamma   119.50730882
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3YBr6
_chemical_formula_sum   'Li6 Y2 Br12'
_cell_volume   553.33341403
_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  0.67940700  0.83976800  0.99945700  1
  Li  Li1  1  0.09242000  0.90758000  0.75000000  1
  Li  Li2  1  0.16023200  0.32059300  0.50054300  1
  Li  Li3  1  0.83976800  0.67940700  0.49945700  1
  Li  Li4  1  0.90758000  0.09242000  0.25000000  1
  Li  Li5  1  0.32059300  0.16023200  0.00054300  1
  Y  Y6  1  0.00000000  0.50000000  0.00000000  1
  Y  Y7  1  0.50000000  0.00000000  0.50000000  1
  Br  Br8  1  0.36584000  0.87792400  0.88086800  1
  Br  Br9  1  0.71523200  0.55551600  0.87900500  1
  Br  Br10  1  0.04010400  0.20057300  0.88123100  1
  Br  Br11  1  0.79942700  0.95989600  0.61876900  1
  Br  Br12  1  0.44448400  0.28476800  0.62099500  1
  Br  Br13  1  0.12207600  0.63416000  0.61913200  1
  Br  Br14  1  0.87792400  0.36584000  0.38086800  1
  Br  Br15  1  0.20057300  0.04010400  0.38123100  1
  Br  Br16  1  0.55551600  0.71523200  0.37900500  1
  Br  Br17  1  0.95989600  0.79942700  0.11876900  1
  Br  Br18  1  0.28476800  0.44448400  0.12099500  1
  Br  Br19  1  0.63416000  0.12207600  0.11913200  1
