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 [C2/m]
_cell_length_a [14.4848]
_cell_length_b [5.4473]
_cell_length_c [10.0942]
_cell_angle_alpha [90.0000]
_cell_angle_beta [128.3689]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2ZnSe2]
_chemical_formula_sum '[Na8 Zn4 Se8]'
_cell_volume [624.4502]
_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  0.0666  0.0000  0.7587  1.0
  Na  Na1  4  0.1737  0.5000  0.5120  1.0
  Zn  Zn2  4  0.1254  0.5000  0.1498  1.0
  Se  Se3  4  0.0476  0.5000  0.8566  1.0
  Se  Se4  4  0.1779  0.0000  0.6015  1.0
]