# generated using pymatgen
data_Tl2MoCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.96963606
_cell_length_b   6.96963550
_cell_length_c   6.96963101
_cell_angle_alpha   60.00002631
_cell_angle_beta   60.00002895
_cell_angle_gamma   59.99995280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2MoCl6
_chemical_formula_sum   'Tl2 Mo1 Cl6'
_cell_volume   239.39494812
_cell_formula_units_Z   1
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
  Tl  Tl0  1  0.25000000  0.25000000  0.25000000  1.0
  Tl  Tl1  1  0.75000000  0.75000000  0.75000000  1.0
  Mo  Mo2  1  -0.00000000  -0.00000000  0.00000000  1.0
  Cl  Cl3  1  0.24156996  0.75843004  0.75843004  1.0
  Cl  Cl4  1  0.24156996  0.75843004  0.24156996  1.0
  Cl  Cl5  1  0.75843004  0.24156996  0.75843004  1.0
  Cl  Cl6  1  0.75843004  0.24156996  0.24156996  1.0
  Cl  Cl7  1  0.75843004  0.75843004  0.24156996  1.0
  Cl  Cl8  1  0.24156996  0.24156996  0.75843004  1.0