data_[K4Sm4Cd4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.8395]
_cell_length_b [4.2195]
_cell_length_c [12.3480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [KSmCdS3]
_chemical_formula_sum '[K4 Sm4 Cd4 S12]'
_cell_volume [616.8743]
_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  0.1511  0.7500  0.5039  1
  Sm  Sm1  4  0.0357  0.7500  0.8365  1
  Cd  Cd2  4  0.2381  0.7500  0.2157  1
  S  S3  4  0.0493  0.2500  0.6794  1
  S  S4  4  0.0932  0.7500  0.0663  1
  S  S5  4  0.2265  0.2500  0.3311  1
]