data_[Pr12Bi6Ru2]
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 [P2_1/c]
_cell_length_a [6.6639]
_cell_length_b [8.8265]
_cell_length_c [13.1661]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.8309]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6Bi3Ru]
_chemical_formula_sum '[Pr12 Bi6 Ru2]'
_cell_volume [671.7982]
_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  0.0556  0.6983  0.9416  1
  Pr  Pr1  4  0.2990  0.1560  0.9346  1
  Pr  Pr2  4  0.3629  0.5367  0.7302  1
  Bi  Bi3  4  0.1536  0.6180  0.2400  1
  Bi  Bi4  2  0.5000  0.0000  0.5000  1
  Ru  Ru5  2  0.0000  0.0000  0.0000  1
]