data_[Te18Pt12]
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 [R-3c]
_cell_length_a [6.9858]
_cell_length_b [6.9858]
_cell_length_c [18.1260]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [Te3Pt2]
_chemical_formula_sum '[Te18 Pt12]'
_cell_volume [766.0719]
_cell_formula_units_Z [6]
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  18  0.0000  0.2979  0.7500  1.0
  Pt  Pt1  12  0.0000  0.0000  0.1492  1.0
]