data_[K4Gd4Zn4S12]
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
  Zn  1.6500  1.3500  0.8800
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.6299]
_cell_length_b [4.0636]
_cell_length_c [8.3843]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8478]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [KGdZnS3]
_chemical_formula_sum '[K4 Gd4 Zn4 S12]'
_cell_volume [585.6238]
_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
[
  K  K0  4  0.1418  0.0000  0.0702  1
  Gd  Gd1  4  0.1680  0.0000  0.5737  1
  Zn  Zn2  4  0.0258  0.5000  0.7380  1
  S  S3  4  0.1604  0.5000  0.7903  1
  S  S4  4  0.1732  0.5000  0.3595  1
  S  S5  2  0.0000  0.0000  0.5000  1
  S  S6  2  0.0000  0.5000  0.0000  1
]