data_[Pr8Y12Pb16]
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 [Cmce]
_cell_length_a [7.1897]
_cell_length_b [17.4526]
_cell_length_c [9.0906]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [Pr2Y3Pb4]
_chemical_formula_sum '[Pr8 Y12 Pb16]'
_cell_volume [1140.6740]
_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  8  0.0000  0.1115  0.5899  1.0
  Y  Y1  8  0.2500  0.2067  0.2500  1.0
  Y  Y2  4  0.0000  0.0000  0.0000  1.0
  Pb  Pb3  8  0.0000  0.1863  0.9454  1.0
  Pb  Pb4  8  0.2500  0.0311  0.2500  1.0
]