data_[Tl8Mo4Cl20]
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 [Cmcm]
_cell_length_a [4.9948]
_cell_length_b [16.9140]
_cell_length_c [13.4944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Tl2MoCl5]
_chemical_formula_sum '[Tl8 Mo4 Cl20]'
_cell_volume [1140.0319]
_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  0.0000  0.1402  0.5765  1
  Mo  Mo1  4  0.0000  0.1510  0.2500  1
  Cl  Cl2  8  0.0000  0.0506  0.1231  1
  Cl  Cl3  8  0.0000  0.2526  0.1154  1
  Cl  Cl4  4  0.0000  0.3269  0.7500  1
]