data_[K4La4Cd4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.3011]
_cell_length_b [14.4193]
_cell_length_c [11.3095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KLaCdS3]
_chemical_formula_sum '[K4 La4 Cd4 S12]'
_cell_volume [701.4040]
_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  0.0000  0.2548  0.2500  1.0
  La  La1  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0000  0.4657  0.7500  1.0
  S  S3  8  0.0000  0.3740  0.5620  1.0
  S  S4  4  0.0000  0.0697  0.7500  1.0
]