data_[Yb4Gd4Cu4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Yb  1.1000  1.7500  1.0840
  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 [Cmcm]
_cell_length_a [3.8535]
_cell_length_b [12.4334]
_cell_length_c [10.3915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [YbGdCuS3]
_chemical_formula_sum '[Yb4 Gd4 Cu4 S12]'
_cell_volume [497.8721]
_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
[
  Yb  Yb0  4  0.0000  0.2444  0.2500  1
  Gd  Gd1  4  0.0000  0.0000  0.0000  1
  Cu  Cu2  4  0.0000  0.4765  0.7500  1
  S  S3  8  0.0000  0.3566  0.5791  1
  S  S4  4  0.0000  0.0873  0.7500  1
]