data_[Gd1U1Cu2S2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  U  1.3800  1.7500  0.9913
  Cu  1.9000  1.3500  0.8200
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.8784]
_cell_length_b [3.8784]
_cell_length_c [8.3978]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [GdUCu2(SO)2]
_chemical_formula_sum '[Gd1 U1 Cu2 S2 O2]'
_cell_volume [126.3210]
_cell_formula_units_Z [1]
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
[
  Gd  Gd0  1  0.0000  0.0000  0.1456  1
  U  U1  1  0.5000  0.5000  0.8480  1
  Cu  Cu2  2  0.0000  0.5000  0.4978  1
  S  S3  1  0.0000  0.0000  0.6682  1
  S  S4  1  0.5000  0.5000  0.3308  1
  O  O5  2  0.0000  0.5000  0.0059  1
]