data_[Tl8Mo4Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Fm-3m]
_cell_length_a [10.0627]
_cell_length_b [10.0627]
_cell_length_c [10.0627]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [225]
_chemical_formula_structural [Tl2MoCl6]
_chemical_formula_sum '[Tl8 Mo4 Cl24]'
_cell_volume [1018.9416]
_cell_formula_units_Z [4]
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  8  0.2500  0.2500  0.2500  1.0
  Mo  Mo1  4  0.0000  0.0000  0.0000  1.0
  Cl  Cl2  24  0.0000  0.0000  0.2380  1.0
]