data_[Pr4Ir2Pb5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ir  2.2000  1.3500  0.7650
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.1144]
_cell_length_b [3.9634]
_cell_length_c [9.8052]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2193]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr4Ir2Pb5]
_chemical_formula_sum '[Pr4 Ir2 Pb5]'
_cell_volume [314.8400]
_cell_formula_units_Z [1]
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  2  0.1946  0.5000  0.8420  1.0
  Pr  Pr1  2  0.2105  0.5000  0.4275  1.0
  Ir  Ir2  2  0.0815  0.0000  0.6309  1.0
  Pb  Pb3  2  0.1412  0.0000  0.1351  1.0
  Pb  Pb4  2  0.4501  0.0000  0.6629  1.0
  Pb  Pb5  1  0.5000  0.0000  0.0000  1.0
]