data_[Na4Nd8Al4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Nd  1.1400  1.8500  1.2765
  Al  1.6100  1.2500  0.6750
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.0538]
_cell_length_b [18.2724]
_cell_length_c [12.1825]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [NaNd2AlSe5]
_chemical_formula_sum '[Na4 Nd8 Al4 Se20]'
_cell_volume [902.3993]
_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  0.0000  0.2077  0.0164  1
  Nd  Nd1  4  0.0000  0.1160  0.6822  1
  Nd  Nd2  4  0.0000  0.1330  0.3106  1
  Al  Al3  4  0.0000  0.4405  0.4457  1
  Se  Se4  4  0.0000  0.0419  0.0568  1
  Se  Se5  4  0.0000  0.2885  0.6860  1
  Se  Se6  4  0.0000  0.3251  0.3490  1
  Se  Se7  4  0.0000  0.3626  0.0026  1
  Se  Se8  4  0.0000  0.4944  0.7748  1
]