data_[Na8Zn4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Zn  1.6500  1.3500  0.8800
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [9.2532]
_cell_length_b [7.4157]
_cell_length_c [7.2432]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9015]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Na2ZnSe2]
_chemical_formula_sum '[Na8 Zn4 Se8]'
_cell_volume [496.3891]
_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  0.0564  0.2349  0.5116  1.0
  Na  Na1  4  0.3218  0.6788  0.4525  1.0
  Zn  Zn2  4  0.3732  0.0907  0.3419  1.0
  Se  Se3  4  0.1429  0.5446  0.7442  1.0
  Se  Se4  4  0.4041  0.1080  0.6941  1.0
]