data_[Pr8Sb16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.3536]
_cell_length_b [6.2285]
_cell_length_c [18.3031]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [PrSb2]
_chemical_formula_sum '[Pr8 Sb16]'
_cell_volume [724.3150]
_cell_formula_units_Z [8]
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  0.1356  0.3897  1.0
  Sb  Sb1  8  0.0000  0.1319  0.0637  1.0
  Sb  Sb2  8  0.2500  0.1232  0.7500  1.0
]