data_[K2Gd2Ni2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Gd  1.2000  1.8000  1.0750
  Ni  1.9100  1.3500  0.7400
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.7226]
_cell_length_b [3.9406]
_cell_length_c [9.2832]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6892]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KGdNiS3]
_chemical_formula_sum '[K2 Gd2 Ni2 S6]'
_cell_volume [305.6462]
_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
[
  K  K0  2  0.2016  0.2500  0.7345  1
  Gd  Gd1  2  0.3273  0.7500  0.3568  1
  Ni  Ni2  2  0.0779  0.2500  0.0947  1
  S  S3  2  0.1056  0.2500  0.3471  1
  S  S4  2  0.1771  0.7500  0.0395  1
  S  S5  2  0.4568  0.7500  0.6606  1
]