data_[Cs4Nd4Cd4S12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Nd  1.1400  1.8500  1.2765
  Cd  1.6900  1.5500  1.0900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.2746]
_cell_length_b [15.7525]
_cell_length_c [11.1090]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsNdCdS3]
_chemical_formula_sum '[Cs4 Nd4 Cd4 S12]'
_cell_volume [748.0366]
_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
[
  Cs  Cs0  4  0.0000  0.2605  0.2500  1.0
  Nd  Nd1  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0000  0.4598  0.7500  1.0
  S  S3  8  0.0000  0.3832  0.5522  1.0
  S  S4  4  0.0000  0.0563  0.7500  1.0
]