data_[Rb8Cr4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Cr  1.6600  1.4000  0.9400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [12.1267]
_cell_length_b [8.6657]
_cell_length_c [6.5193]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0176]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Rb2CrS3]
_chemical_formula_sum '[Rb8 Cr4 S12]'
_cell_volume [681.3161]
_cell_formula_units_Z [4]
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
[
  Rb  Rb0  8  0.1578  0.3437  0.2063  1.0
  Cr  Cr1  4  0.0000  0.0754  0.7500  1.0
  S  S2  8  0.1232  0.0357  0.4860  1.0
  S  S3  4  0.0000  0.3283  0.7500  1.0
]