data_[Pr8Y6Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Y  1.2200  1.8000  1.0400
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [9.4167]
_cell_length_b [9.4167]
_cell_length_c [6.7013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Pr8Y6Pb]
_chemical_formula_sum '[Pr8 Y6 Pb1]'
_cell_volume [514.6222]
_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  6  0.0426  0.7680  0.8251  1
  Pr  Pr1  2  0.3333  0.6667  0.8610  1
  Y  Y2  6  0.0984  0.6537  0.3409  1
  Pb  Pb3  1  0.0000  0.0000  0.5000  1
]