data_[Pr16Bi4Ru4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Bi  2.0200  1.6000  1.0350
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.2552]
_cell_length_b [14.3002]
_cell_length_c [6.4135]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr4BiRu]
_chemical_formula_sum '[Pr16 Bi4 Ru4]'
_cell_volume [763.7655]
_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  0.1119  0.1779  0.0735  1.0
  Pr  Pr1  8  0.2300  0.4333  0.3397  1.0
  Bi  Bi2  4  0.0000  0.3746  0.7500  1.0
  Ru  Ru3  4  0.0000  0.0015  0.2500  1.0
]