data_[Pr16Bi2Pb4]
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
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.2728]
_cell_length_b [5.1502]
_cell_length_c [7.4861]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.0605]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr8BiPb2]
_chemical_formula_sum '[Pr16 Bi2 Pb4]'
_cell_volume [771.8618]
_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  0.0193  0.0000  0.7534  1
  Pr  Pr1  4  0.0947  0.5000  0.4866  1
  Pr  Pr2  4  0.1616  0.5000  0.0242  1
  Pr  Pr3  4  0.2126  0.0000  0.3512  1
  Bi  Bi4  2  0.0000  0.5000  0.0000  1
  Pb  Pb5  4  0.1822  0.0000  0.7729  1
]