data_[Pr12Y4Sb12]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_13]
_cell_length_a [9.5029]
_cell_length_b [9.5029]
_cell_length_c [9.5029]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [198]
_chemical_formula_structural [Pr3YSb3]
_chemical_formula_sum '[Pr12 Y4 Sb12]'
_cell_volume [858.1484]
_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  0.0669  0.4331  0.5669  1
  Pr  Pr1  4  0.1773  0.8227  0.3227  1
  Pr  Pr2  4  0.1796  0.1796  0.1796  1
  Y  Y3  4  0.0718  0.5718  0.9282  1
  Sb  Sb4  12  0.0020  0.2562  0.8714  1
]