data_[Ce2Sb6Se12]
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 [P2_1/m]
_cell_length_a [12.1980]
_cell_length_b [4.1044]
_cell_length_c [12.4432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6494]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ce(SbSe2)3]
_chemical_formula_sum '[Ce2 Sb6 Se12]'
_cell_volume [602.7254]
_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  2  0.3142  0.2500  0.9684  1.0
  Sb  Sb1  2  0.1020  0.7500  0.1517  1.0
  Sb  Sb2  2  0.1577  0.2500  0.5686  1.0
  Sb  Sb3  2  0.4602  0.7500  0.7019  1.0
  Se  Se4  2  0.0999  0.7500  0.4213  1.0
  Se  Se5  2  0.1171  0.7500  0.9432  1.0
  Se  Se6  2  0.2518  0.2500  0.2007  1.0
  Se  Se7  2  0.2739  0.7500  0.7734  1.0
  Se  Se8  2  0.3775  0.2500  0.5475  1.0
  Se  Se9  2  0.4657  0.7500  0.1089  1.0
]