data_[Ce2Sb2S6]
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
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.2704]
_cell_length_b [4.1634]
_cell_length_c [10.9781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4867]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeSbS3]
_chemical_formula_sum '[Ce2 Sb2 S6]'
_cell_volume [324.4421]
_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  0.2537  0.7500  0.4261  1.0
  Sb  Sb1  2  0.1204  0.7500  0.8573  1.0
  S  S2  2  0.0344  0.7500  0.6237  1.0
  S  S3  2  0.0847  0.7500  0.1396  1.0
  S  S4  2  0.4620  0.2500  0.3632  1.0
]