data_[Na8Zn12Se16]
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 [Ibam]
_cell_length_a [6.2411]
_cell_length_b [10.3089]
_cell_length_c [13.5927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [Na2Zn3Se4]
_chemical_formula_sum '[Na8 Zn12 Se16]'
_cell_volume [874.5456]
_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  8  0.2456  0.3744  0.5000  1.0
  Zn  Zn1  8  0.0000  0.2168  0.2500  1.0
  Zn  Zn2  4  0.0000  0.5000  0.2500  1.0
  Se  Se3  16  0.2296  0.3692  0.1376  1.0
]