data_[Ba2Na4Zn4Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [16.0845]
_cell_length_b [4.1648]
_cell_length_c [8.9176]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.7086]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaNa2(ZnSe2)2]
_chemical_formula_sum '[Ba2 Na4 Zn4 Se8]'
_cell_volume [523.9485]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.0000  1.0
  Na  Na1  4  0.1085  0.0000  0.6343  1.0
  Zn  Zn2  4  0.1695  0.5000  0.3810  1.0
  Se  Se3  4  0.0006  0.5000  0.2808  1.0
  Se  Se4  4  0.2316  0.0000  0.2928  1.0
]