data_[Pr3Ni3Bi3]
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 [P-62m]
_cell_length_a [7.5332]
_cell_length_b [7.5332]
_cell_length_c [4.3130]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [189]
_chemical_formula_structural [PrNiBi]
_chemical_formula_sum '[Pr3 Ni3 Bi3]'
_cell_volume [211.9636]
_cell_formula_units_Z [3]
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  3  0.0000  0.6111  0.5000  1
  Ni  Ni1  2  0.3333  0.6667  0.0000  1
  Ni  Ni2  1  0.0000  0.0000  0.5000  1
  Bi  Bi3  3  0.0000  0.2753  0.0000  1
]