data_[Pr12Y4Sb8]
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 [Ibam]
_cell_length_a [6.5342]
_cell_length_b [17.6998]
_cell_length_c [6.5039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Pr3YSb2]
_chemical_formula_sum '[Pr12 Y4 Sb8]'
_cell_volume [752.1952]
_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  0.2481  0.3230  0.0000  1.0
  Pr  Pr1  4  0.0000  0.5000  0.2500  1.0
  Y  Y2  4  0.0000  0.0000  0.2500  1.0
  Sb  Sb3  8  0.2445  0.1371  0.0000  1.0
]