data_[Na4Hf4Zn2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Hf  1.3000  1.5500  0.8500
  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 [6.5921]
_cell_length_b [11.7929]
_cell_length_c [7.4785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3049]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Hf2ZnSe6]
_chemical_formula_sum '[Na4 Hf4 Zn2 Se12]'
_cell_volume [555.0701]
_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  4  0.0000  0.1611  0.0000  1.0
  Hf  Hf1  4  0.0000  0.3297  0.5000  1.0
  Zn  Zn2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2464  0.1721  0.7186  1.0
  Se  Se4  4  0.2442  0.5000  0.7023  1.0
]