data_[Te24Pt8Cl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pt  2.2800  1.3500  0.8050
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.8129]
_cell_length_b [17.4276]
_cell_length_c [7.1457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.0099]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Te3PtCl]
_chemical_formula_sum '[Te24 Pt8 Cl8]'
_cell_volume [1221.8320]
_cell_formula_units_Z [8]
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
[
  Te  Te0  8  0.1214  0.2817  0.9622  1.0
  Te  Te1  8  0.1361  0.1734  0.4304  1.0
  Te  Te2  8  0.1407  0.0557  0.9218  1.0
  Pt  Pt3  4  0.0000  0.0594  0.2500  1.0
  Pt  Pt4  4  0.0000  0.1672  0.7500  1.0
  Cl  Cl5  8  0.1540  0.4026  0.4798  1.0
]