data_[Pr4Sb4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [4.5674]
_cell_length_b [4.5674]
_cell_length_c [16.7518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [PrSbPt]
_chemical_formula_sum '[Pr4 Sb4 Pt4]'
_cell_volume [302.6373]
_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
[
  Pr  Pr0  2  0.0000  0.0000  0.0000  1.0
  Pr  Pr1  2  0.0000  0.0000  0.2500  1.0
  Sb  Sb2  4  0.3333  0.6667  0.3819  1.0
  Pt  Pt3  4  0.3333  0.6667  0.8638  1.0
]