data_[Pr8Er4Pb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Er  1.2400  1.7500  1.0300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.9516]
_cell_length_b [15.5084]
_cell_length_c [6.2616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.2037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Pr2ErPb3]
_chemical_formula_sum '[Pr8 Er4 Pb12]'
_cell_volume [758.7779]
_cell_formula_units_Z [4]
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  0.0000  0.0796  0.2500  1.0
  Pr  Pr1  4  0.0000  0.2405  0.7500  1.0
  Er  Er2  4  0.0000  0.4098  0.2500  1.0
  Pb  Pb3  8  0.2274  0.4202  0.9768  1.0
  Pb  Pb4  4  0.2500  0.2500  0.5000  1.0
]