data_[Na4Zn2Se6]
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 [P-1]
_cell_length_a [5.7238]
_cell_length_b [6.9011]
_cell_length_c [7.9687]
_cell_angle_alpha [74.5612]
_cell_angle_beta [76.9969]
_cell_angle_gamma [79.6355]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Na2ZnSe3]
_chemical_formula_sum '[Na4 Zn2 Se6]'
_cell_volume [293.2088]
_cell_formula_units_Z [2]
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  2  0.3868  0.3109  0.4820  1.0
  Na  Na1  1  0.0000  0.0000  0.0000  1.0
  Na  Na2  1  0.0000  0.0000  0.5000  1.0
  Zn  Zn3  2  0.4838  0.2493  0.9105  1.0
  Se  Se4  2  0.0964  0.6643  0.2746  1.0
  Se  Se5  2  0.1879  0.5267  0.7817  1.0
  Se  Se6  2  0.4569  0.0570  0.2250  1.0
]