data_[Na4La4Cd4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  La  1.1000  1.9500  1.1720
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [11.6075]
_cell_length_b [4.3418]
_cell_length_c [13.5628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [NaLaCdSe3]
_chemical_formula_sum '[Na4 La4 Cd4 Se12]'
_cell_volume [683.5248]
_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  0.2111  0.7500  0.0050  1
  La  La1  4  0.0089  0.2500  0.7362  1
  Cd  Cd2  4  0.2405  0.2500  0.2202  1
  Se  Se3  4  0.0497  0.2500  0.1164  1
  Se  Se4  4  0.0844  0.7500  0.5991  1
  Se  Se5  4  0.2460  0.7500  0.3392  1
]