data_[Pr4Fe4Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [13.0472]
_cell_length_b [6.1392]
_cell_length_c [6.0643]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [PrFeSb3]
_chemical_formula_sum '[Pr4 Fe4 Sb12]'
_cell_volume [485.7386]
_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  0.3028  0.0017  0.7500  1.0
  Fe  Fe1  4  0.0927  0.2500  0.0000  1.0
  Sb  Sb2  4  0.0549  0.5944  0.2500  1.0
  Sb  Sb3  4  0.2100  0.5026  0.7500  1.0
  Sb  Sb4  4  0.4985  0.2500  0.0000  1.0
]