data_[Ce4Pa4Sb12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Pa  1.5000  1.8000  1.0400
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Pbcm]
_cell_length_a [14.5656]
_cell_length_b [6.0538]
_cell_length_c [6.3110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [57]
_chemical_formula_structural [CePaSb3]
_chemical_formula_sum '[Ce4 Pa4 Sb12]'
_cell_volume [556.4927]
_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
[
  Ce  Ce0  4  0.3294  0.5155  0.2500  1
  Pa  Pa1  4  0.0959  0.2500  0.0000  1
  Sb  Sb2  4  0.0950  0.7211  0.2500  1
  Sb  Sb3  4  0.2697  0.0236  0.2500  1
  Sb  Sb4  4  0.4974  0.2500  0.0000  1
]