data_[K1Pa1Sb2Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pa  1.5000  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.4442]
_cell_length_b [4.4442]
_cell_length_c [9.6166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [KPa(SbPt)2]
_chemical_formula_sum '[K1 Pa1 Sb2 Pt2]'
_cell_volume [164.4869]
_cell_formula_units_Z [1]
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
[
  K  K0  1  0.0000  0.0000  0.0000  1
  Pa  Pa1  1  0.0000  0.0000  0.5000  1
  Sb  Sb2  2  0.3333  0.6667  0.7370  1
  Pt  Pt3  2  0.3333  0.6667  0.3373  1
]