data_[Te12Pt8]
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
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0323]
_cell_length_b [4.0577]
_cell_length_c [17.7299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3382]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Te3Pt2]
_chemical_formula_sum '[Te12 Pt8]'
_cell_volume [501.7763]
_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  0.0362  0.0000  0.1112  1.0
  Te  Te1  4  0.1488  0.0000  0.4271  1.0
  Te  Te2  4  0.2345  0.0000  0.7293  1.0
  Pt  Pt3  4  0.0423  0.5000  0.6501  1.0
  Pt  Pt4  4  0.1530  0.5000  0.9579  1.0
]