data_[Te4Pt4Cl4]
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 [P4_2/mmc]
_cell_length_a [7.6221]
_cell_length_b [7.6221]
_cell_length_c [5.7076]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [131]
_chemical_formula_structural [TePtCl]
_chemical_formula_sum '[Te4 Pt4 Cl4]'
_cell_volume [331.5887]
_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
[
  Te  Te0  4  0.2739  0.5000  0.5000  1.0
  Pt  Pt1  4  0.2444  0.5000  0.0000  1.0
  Cl  Cl2  4  0.0000  0.2828  0.0000  1.0
]