data_[Ce4Re2S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Re  1.9000  1.3500  0.7125
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0559]
_cell_length_b [7.2196]
_cell_length_c [10.4472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ce2ReS6]
_chemical_formula_sum '[Ce4 Re2 S12]'
_cell_volume [375.9116]
_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  4  0.2054  0.6200  0.2500  1
  Re  Re1  2  0.5000  0.0000  0.5000  1
  S  S2  4  0.1091  0.6701  0.9439  1
  S  S3  4  0.2956  0.2004  0.9448  1
  S  S4  4  0.3512  0.5246  0.7347  1
]