data_[Ce12Sb4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Sb  2.0500  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.3960]
_cell_length_b [14.2929]
_cell_length_c [7.2384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ce3SbSe6]
_chemical_formula_sum '[Ce12 Sb4 Se24]'
_cell_volume [1179.0023]
_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  8  0.1835  0.1004  0.9859  1.0
  Ce  Ce1  4  0.0000  0.4025  0.8824  1.0
  Sb  Sb2  4  0.0000  0.1730  0.4973  1.0
  Se  Se3  8  0.1638  0.4689  0.1836  1.0
  Se  Se4  8  0.1666  0.2636  0.6972  1.0
  Se  Se5  4  0.0000  0.0070  0.7410  1.0
  Se  Se6  4  0.0000  0.2328  0.1313  1.0
]