data_[Cs2Cr2Cu2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.6778]
_cell_length_b [3.6589]
_cell_length_c [9.5169]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.3362]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCrCuS3]
_chemical_formula_sum '[Cs2 Cr2 Cu2 S6]'
_cell_volume [270.8123]
_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
[
  Cs  Cs0  2  0.0166  0.7500  0.2604  1.0
  Cr  Cr1  2  0.4694  0.7500  0.1513  1.0
  Cu  Cu2  2  0.4752  0.2500  0.3935  1.0
  S  S3  2  0.2795  0.2500  0.1408  1.0
  S  S4  2  0.3480  0.2500  0.5699  1.0
  S  S5  2  0.3595  0.7500  0.8727  1.0
]