data_[Ce8Cr2S14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P6_3]
_cell_length_a [10.3527]
_cell_length_b [10.3527]
_cell_length_c [6.5905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [173]
_chemical_formula_structural [Ce4CrS7]
_chemical_formula_sum '[Ce8 Cr2 S14]'
_cell_volume [611.7249]
_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  6  0.1495  0.7515  0.7693  1
  Ce  Ce1  2  0.0000  0.0000  0.4484  1
  Cr  Cr2  2  0.3333  0.6667  0.3511  1
  S  S3  6  0.1028  0.5177  0.5054  1
  S  S4  6  0.1056  0.8467  0.1931  1
  S  S5  2  0.3333  0.6667  0.9874  1
]