data_[Cs2Fe2Cu2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Fe  1.8300  1.4000  0.8525
  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 [8.3543]
_cell_length_b [3.6100]
_cell_length_c [9.3790]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.7439]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsFeCuS3]
_chemical_formula_sum '[Cs2 Fe2 Cu2 S6]'
_cell_volume [256.8893]
_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  0.0186  0.7500  0.2662  1
  Fe  Fe1  2  0.4740  0.7500  0.1530  1
  Cu  Cu2  2  0.4759  0.2500  0.3957  1
  S  S3  2  0.2865  0.2500  0.1399  1
  S  S4  2  0.3409  0.2500  0.5796  1
  S  S5  2  0.3702  0.7500  0.8839  1
]