data_[Pr10Ru2Pb4]
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 [I4mm]
_cell_length_a [7.6165]
_cell_length_b [7.6165]
_cell_length_c [8.7636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Pr5RuPb2]
_chemical_formula_sum '[Pr10 Ru2 Pb4]'
_cell_volume [508.3880]
_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  8  0.2473  0.2473  0.4935  1
  Pr  Pr1  2  0.0000  0.0000  0.7541  1
  Ru  Ru2  2  0.0000  0.0000  0.0741  1
  Pb  Pb3  4  0.0000  0.5000  0.2374  1
]