data_[Te18Pd9Pt3]
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 [R3]
_cell_length_a [7.0289]
_cell_length_b [7.0289]
_cell_length_c [17.7309]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Te6Pd3Pt]
_chemical_formula_sum '[Te18 Pd9 Pt3]'
_cell_volume [758.6304]
_cell_formula_units_Z [3]
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  9  0.0028  0.7016  0.7497  1.0
  Te  Te1  9  0.0325  0.3627  0.9168  1.0
  Pd  Pd2  3  0.0000  0.0000  0.1506  1.0
  Pd  Pd3  3  0.0000  0.0000  0.3519  1.0
  Pd  Pd4  3  0.0000  0.0000  0.6489  1.0
  Pt  Pt5  3  0.0000  0.0000  0.8490  1.0
]