data_[Na4Gd4Co4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Gd  1.2000  1.8000  1.0750
  Co  1.8800  1.3500  0.7683
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.5526]
_cell_length_b [3.8854]
_cell_length_c [12.8237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaGdCoS3]
_chemical_formula_sum '[Na4 Gd4 Co4 S12]'
_cell_volume [525.7902]
_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
[
  Na  Na0  4  0.2119  0.7500  0.9976  1
  Gd  Gd1  4  0.0146  0.2500  0.7367  1
  Co  Co2  4  0.2340  0.2500  0.2205  1
  S  S3  4  0.0563  0.2500  0.1233  1
  S  S4  4  0.1041  0.7500  0.6068  1
  S  S5  4  0.2404  0.7500  0.3221  1
]