data_[Gd4Nb4S14O60]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Nb  1.6000  1.4500  0.8200
  S  2.5800  1.0000  0.8800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [12.9052]
_cell_length_b [12.9052]
_cell_length_c [7.1932]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [113]
_chemical_formula_structural [Gd2Nb2S7O30]
_chemical_formula_sum '[Gd4 Nb4 S14 O60]'
_cell_volume [1197.9801]
_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
[
  Gd  Gd0  4  0.1988  0.6988  0.4078  1
  Nb  Nb1  4  0.1382  0.3618  0.9824  1
  S  S2  8  0.0646  0.1764  0.2966  1
  S  S3  4  0.1232  0.6232  0.8956  1
  S  S4  2  0.0000  0.5000  0.3455  1
  O  O5  8  0.0086  0.6418  0.8722  1
  O  O6  8  0.0432  0.7915  0.3242  1
  O  O7  8  0.0649  0.9246  0.7328  1
  O  O8  8  0.1053  0.2306  0.1198  1
  O  O9  8  0.1310  0.2106  0.4516  1
  O  O10  4  0.0661  0.4339  0.2249  1
  O  O11  4  0.0671  0.5671  0.4600  1
  O  O12  4  0.1564  0.6564  0.0793  1
  O  O13  4  0.1760  0.6760  0.7427  1
  O  O14  4  0.2005  0.2995  0.7924  1
]