data_[Pr16Rh2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Rh  2.2800  1.3500  0.7450
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8897]
_cell_length_b [5.0749]
_cell_length_c [7.1955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5808]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8RhPb2]
_chemical_formula_sum '[Pr16 Rh2 Pb4]'
_cell_volume [708.8638]
_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  0.0126  0.0000  0.7794  1.0
  Pr  Pr1  4  0.0913  0.5000  0.4820  1.0
  Pr  Pr2  4  0.1435  0.5000  0.0119  1.0
  Pr  Pr3  4  0.2145  0.0000  0.3313  1.0
  Rh  Rh4  2  0.0000  0.5000  0.0000  1.0
  Pb  Pb5  4  0.1825  0.0000  0.7674  1.0
]