# generated using pymatgen
data_LiTl3(MoO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.14308417
_cell_length_b   6.14308417
_cell_length_c   16.19244900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000185
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiTl3(MoO4)2
_chemical_formula_sum   'Li2 Tl6 Mo4 O16'
_cell_volume   529.19544026
_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  0.66666700  0.33333300  0.39717100  1
  Li  Li1  1  0.33333300  0.66666700  0.89717100  1
  Tl  Tl2  1  0.66666700  0.33333300  0.59984800  1
  Tl  Tl3  1  0.33333300  0.66666700  0.09984800  1
  Tl  Tl4  1  0.00000000  0.00000000  0.00107400  1
  Tl  Tl5  1  0.00000000  0.00000000  0.25379800  1
  Tl  Tl6  1  0.00000000  0.00000000  0.75379800  1
  Tl  Tl7  1  0.00000000  0.00000000  0.50107400  1
  Mo  Mo8  1  0.33333300  0.66666700  0.39958700  1
  Mo  Mo9  1  0.33333300  0.66666700  0.67056600  1
  Mo  Mo10  1  0.66666700  0.33333300  0.17056600  1
  Mo  Mo11  1  0.66666700  0.33333300  0.89958700  1
  O  O12  1  0.98567900  0.49284000  0.93841700  1
  O  O13  1  0.82813700  0.17186300  0.13506100  1
  O  O14  1  0.33333300  0.66666700  0.77949200  1
  O  O15  1  0.17186300  0.82813700  0.63506100  1
  O  O16  1  0.50716000  0.01432100  0.93841700  1
  O  O17  1  0.65627400  0.82813700  0.63506100  1
  O  O18  1  0.82813700  0.65627400  0.13506100  1
  O  O19  1  0.34372600  0.17186300  0.13506100  1
  O  O20  1  0.17186300  0.34372600  0.63506100  1
  O  O21  1  0.66666700  0.33333300  0.27949200  1
  O  O22  1  0.49284000  0.50716000  0.43841700  1
  O  O23  1  0.49284000  0.98567900  0.43841700  1
  O  O24  1  0.01432100  0.50716000  0.43841700  1
  O  O25  1  0.33333300  0.66666700  0.28933100  1
  O  O26  1  0.66666700  0.33333300  0.78933100  1
  O  O27  1  0.50716000  0.49284000  0.93841700  1
