data_[Na4Li4Cd4S8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.5778]
_cell_length_b [4.0929]
_cell_length_c [8.2160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.0739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NaLiCdS2]
_chemical_formula_sum '[Na4 Li4 Cd4 S8]'
_cell_volume [452.0574]
_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  0.1883  0.5000  0.6723  1.0
  Li  Li1  4  0.1817  0.5000  0.0595  1.0
  Cd  Cd2  4  0.0487  0.0000  0.2080  1.0
  S  S3  4  0.1334  0.0000  0.9079  1.0
  S  S4  4  0.1385  0.5000  0.3361  1.0
]