data_[Te12Pd4Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [5.2940]
_cell_length_b [7.1617]
_cell_length_c [12.1565]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [58]
_chemical_formula_structural [Te6Pd2Pt]
_chemical_formula_sum '[Te12 Pd4 Pt2]'
_cell_volume [460.9028]
_cell_formula_units_Z [2]
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  0.2218  0.6844  0.1535  1.0
  Te  Te1  4  0.2376  0.1709  0.0000  1.0
  Pd  Pd2  4  0.0000  0.5000  0.3267  1.0
  Pt  Pt3  2  0.0000  0.0000  0.5000  1.0
]