data_[Na2Cd2Sb2S6]
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
  Sb  2.0500  1.4500  0.8300
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.2363]
_cell_length_b [4.0044]
_cell_length_c [10.7536]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0043]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaCdSbS3]
_chemical_formula_sum '[Na2 Cd2 Sb2 S6]'
_cell_volume [352.7250]
_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  0.2599  0.2500  0.2585  1.0
  Cd  Cd1  2  0.3732  0.7500  0.9077  1.0
  Sb  Sb2  2  0.1331  0.2500  0.6351  1.0
  S  S3  2  0.0866  0.7500  0.7947  1.0
  S  S4  2  0.1590  0.7500  0.4375  1.0
  S  S5  2  0.4465  0.7500  0.1493  1.0
]