data_[Cs2Tl4Mo2Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tl  1.6200  1.9000  1.3325
  Mo  2.1600  1.4500  0.7750
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.3180]
_cell_length_b [8.5334]
_cell_length_c [12.9026]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.4894]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [CsTl2MoCl6]
_chemical_formula_sum '[Cs2 Tl4 Mo2 Cl12]'
_cell_volume [679.6280]
_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
[
  Cs  Cs0  2  0.5000  0.0000  0.0000  1.0
  Tl  Tl1  4  0.2909  0.5435  0.7752  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  Cl  Cl3  4  0.0865  0.6020  0.2010  1.0
  Cl  Cl4  4  0.2475  0.2255  0.6023  1.0
  Cl  Cl5  4  0.3049  0.6488  0.0177  1.0
]