data_[Pr4Ni4Bi12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.1333]
_cell_length_b [6.4955]
_cell_length_c [6.3106]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [PrNiBi3]
_chemical_formula_sum '[Pr4 Ni4 Bi12]'
_cell_volume [538.3416]
_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  4  0.2991  0.0047  0.7500  1.0
  Ni  Ni1  4  0.1061  0.2500  0.0000  1.0
  Bi  Bi2  4  0.0453  0.5934  0.2500  1.0
  Bi  Bi3  4  0.2253  0.5017  0.7500  1.0
  Bi  Bi4  4  0.4992  0.2500  0.0000  1.0
]