data_[Cs2Gd2Cu2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Gd  1.2000  1.8000  1.0750
  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 [9.3542]
_cell_length_b [4.0129]
_cell_length_c [9.7285]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.0698]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsGdCuS3]
_chemical_formula_sum '[Cs2 Gd2 Cu2 S6]'
_cell_volume [340.7657]
_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  0.2878  0.7500  0.7551  1
  Gd  Gd1  2  0.1711  0.2500  0.1412  1
  Cu  Cu2  2  0.4165  0.7500  0.3915  1
  S  S3  2  0.0253  0.2500  0.8431  1
  S  S4  2  0.3293  0.2500  0.4536  1
  S  S5  2  0.3748  0.7500  0.1445  1
]