data_[Pr6Cd6Pt6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Cd  1.6900  1.5500  1.0900
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmma]
_cell_length_a [13.5176]
_cell_length_b [4.0805]
_cell_length_c [7.8183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [51]
_chemical_formula_structural [PrCdPt]
_chemical_formula_sum '[Pr6 Cd6 Pt6]'
_cell_volume [431.2522]
_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
[
  Pr  Pr0  4  0.0480  0.0000  0.7702  1
  Pr  Pr1  2  0.2500  0.0000  0.1637  1
  Cd  Cd2  4  0.1174  0.5000  0.4377  1
  Cd  Cd3  2  0.2500  0.5000  0.8079  1
  Pt  Pt4  4  0.0963  0.5000  0.0668  1
  Pt  Pt5  2  0.2500  0.0000  0.5593  1
]