data_[Na8Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0169]
_cell_length_b [11.0625]
_cell_length_c [21.1160]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0807]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Na2Se]
_chemical_formula_sum '[Na8 Se4]'
_cell_volume [1171.9172]
_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  1  0.0631  0.6532  0.6109  1
  Na  Na1  1  0.1125  0.3685  0.6448  1
  Na  Na2  1  0.1903  0.8669  0.3552  1
  Na  Na3  1  0.2485  0.1488  0.3909  1
  Na  Na4  1  0.2864  0.4862  0.5041  1
  Na  Na5  1  0.6483  0.2734  0.5568  1
  Na  Na6  1  0.6521  0.7671  0.4418  1
  Na  Na7  1  0.9864  0.9867  0.4962  1
  Se  Se8  1  0.1487  0.2297  0.5168  1
  Se  Se9  1  0.1512  0.7324  0.4841  1
  Se  Se10  1  0.5991  0.4965  0.6279  1
  Se  Se11  1  0.7037  0.9921  0.3705  1
]