data_[Ce2S10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [3.9577]
_cell_length_b [12.1935]
_cell_length_c [7.1569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1758]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CeS5]
_chemical_formula_sum '[Ce2 S10]'
_cell_volume [333.3347]
_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  0.3950  0.2500  0.6441  1.0
  S  S1  4  0.0175  0.1661  0.8969  1.0
  S  S2  4  0.2859  0.0400  0.4294  1.0
  S  S3  2  0.2304  0.7500  0.6142  1.0
]