data_[Pr8In20Ni12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  In  1.7800  1.5500  0.9400
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [10.6633]
_cell_length_b [13.3173]
_cell_length_c [6.0640]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr2In5Ni3]
_chemical_formula_sum '[Pr8 In20 Ni12]'
_cell_volume [861.1203]
_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  0.2178  0.3488  0.5000  1.0
  In  In1  8  0.0000  0.2085  0.2500  1.0
  In  In2  8  0.1795  0.0787  0.5000  1.0
  In  In3  4  0.0000  0.5000  0.2500  1.0
  Ni  Ni4  8  0.0927  0.3532  0.0000  1.0
  Ni  Ni5  4  0.0000  0.0000  0.2500  1.0
]