data_[Pr16Cd4Ni4]
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
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9640]
_cell_length_b [14.0147]
_cell_length_c [6.1925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.2205]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4CdNi]
_chemical_formula_sum '[Pr16 Cd4 Ni4]'
_cell_volume [709.4686]
_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  8  0.1148  0.1868  0.0756  1.0
  Pr  Pr1  8  0.2344  0.4280  0.3511  1.0
  Cd  Cd2  4  0.0000  0.3829  0.7500  1.0
  Ni  Ni3  4  0.0000  0.0002  0.7500  1.0
]