data_[Ce12Fe2Sb10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.6444]
_cell_length_b [13.1486]
_cell_length_c [7.6008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7797]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6FeSb5]
_chemical_formula_sum '[Ce12 Fe2 Sb10]'
_cell_volume [718.9083]
_cell_formula_units_Z [2]
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  8  0.2230  0.1496  0.2255  1
  Ce  Ce1  4  0.2214  0.0000  0.7602  1
  Fe  Fe2  2  0.0000  0.0000  0.0000  1
  Sb  Sb3  4  0.0000  0.1824  0.5000  1
  Sb  Sb4  4  0.0000  0.3362  0.0000  1
  Sb  Sb5  2  0.0000  0.5000  0.5000  1
]