data_[Ce12Sb2Se10]
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 [C2/m]
_cell_length_a [7.3643]
_cell_length_b [12.7622]
_cell_length_c [7.3767]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5025]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce6SbSe5]
_chemical_formula_sum '[Ce12 Sb2 Se10]'
_cell_volume [653.5199]
_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  0.2421  0.3282  0.7419  1
  Ce  Ce1  4  0.2407  0.5000  0.2541  1
  Sb  Sb2  2  0.0000  0.0000  0.0000  1
  Se  Se3  4  0.0000  0.1616  0.5000  1
  Se  Se4  4  0.0000  0.3324  0.0000  1
  Se  Se5  2  0.0000  0.5000  0.5000  1
]