data_[Na2Zn2Bi2Se6]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8080]
_cell_length_b [4.1302]
_cell_length_c [9.4678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.8555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaZnBiSe3]
_chemical_formula_sum '[Na2 Zn2 Bi2 Se6]'
_cell_volume [338.2627]
_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  0.1763  0.2500  0.2102  1.0
  Zn  Zn1  2  0.0857  0.2500  0.5967  1.0
  Bi  Bi2  2  0.3397  0.7500  0.8558  1.0
  Se  Se3  2  0.1044  0.2500  0.8614  1.0
  Se  Se4  2  0.2052  0.7500  0.5079  1.0
  Se  Se5  2  0.4157  0.7500  0.1558  1.0
]