data_[Pr4Ni2Bi12]
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 [Amm2]
_cell_length_a [4.1464]
_cell_length_b [16.3970]
_cell_length_c [7.9295]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Pr2NiBi6]
_chemical_formula_sum '[Pr4 Ni2 Bi12]'
_cell_volume [539.1165]
_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  0.0000  0.1604  0.4831  1
  Ni  Ni1  2  0.5000  0.0000  0.9798  1
  Bi  Bi2  4  0.0000  0.1168  0.9155  1
  Bi  Bi3  4  0.5000  0.2229  0.1824  1
  Bi  Bi4  2  0.0000  0.0000  0.2250  1
  Bi  Bi5  2  0.5000  0.0000  0.6332  1
]