data_[Na4Al8P4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Al  1.6100  1.2500  0.6750
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.4723]
_cell_length_b [14.0609]
_cell_length_c [7.1009]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.0101]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaAl2PSe6]
_chemical_formula_sum '[Na4 Al8 P4 Se24]'
_cell_volume [1275.7285]
_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  0.0197  0.7500  1
  Al  Al1  8  0.2457  0.4217  0.3265  1
  P  P2  4  0.0000  0.2535  0.2500  1
  Se  Se3  8  0.0880  0.1654  0.5540  1
  Se  Se4  8  0.0886  0.3328  0.1103  1
  Se  Se5  8  0.2367  0.0684  0.0002  1
]