data_[Pr16Pd2Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Pd  2.2000  1.4000  0.8462
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.1291]
_cell_length_b [5.1492]
_cell_length_c [7.0894]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.2777]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8PdPt2]
_chemical_formula_sum '[Pr16 Pd2 Pt4]'
_cell_volume [653.1377]
_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
[
  Pr  Pr0  4  0.0351  0.0000  0.7738  1.0
  Pr  Pr1  4  0.0881  0.5000  0.4447  1.0
  Pr  Pr2  4  0.1662  0.5000  0.9653  1.0
  Pr  Pr3  4  0.2018  0.0000  0.3355  1.0
  Pd  Pd4  2  0.0000  0.5000  0.0000  1.0
  Pt  Pt5  4  0.1994  0.0000  0.7429  1.0
]