data_[Pr12Ru2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ru  2.2000  1.3000  0.6610
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.5230]
_cell_length_b [8.7525]
_cell_length_c [12.3451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.3236]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Pr6RuPb2]
_chemical_formula_sum '[Pr12 Ru2 Pb4]'
_cell_volume [602.0836]
_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  0.0824  0.1706  0.4507  1.0
  Pr  Pr1  4  0.3170  0.6902  0.4504  1.0
  Pr  Pr2  4  0.3510  0.0292  0.2466  1.0
  Ru  Ru3  2  0.5000  0.0000  0.5000  1.0
  Pb  Pb4  4  0.1769  0.1119  0.7565  1.0
]