data_[Na2Cd2Fe2S6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Cd  1.6900  1.5500  1.0900
  Fe  1.8300  1.4000  0.8525
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.7443]
_cell_length_b [3.7355]
_cell_length_c [9.3412]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.8354]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaCdFeS3]
_chemical_formula_sum '[Na2 Cd2 Fe2 S6]'
_cell_volume [259.9717]
_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
[
  Na  Na0  2  0.2592  0.2500  0.2459  1
  Cd  Cd1  2  0.1723  0.7500  0.6088  1
  Fe  Fe2  2  0.4106  0.2500  0.8946  1
  S  S3  2  0.0374  0.7500  0.3236  1
  S  S4  2  0.2964  0.7500  0.9776  1
  S  S5  2  0.4378  0.2500  0.6674  1
]