data_[Na4Hf4Zr2Se12]
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
  Zr  1.3300  1.5500  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.5532]
_cell_length_b [11.3696]
_cell_length_c [7.6041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.6049]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2Hf2ZrSe6]
_chemical_formula_sum '[Na4 Hf4 Zr2 Se12]'
_cell_volume [542.9363]
_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  0.1645  0.0000  1.0
  Hf  Hf1  4  0.0000  0.3325  0.5000  1.0
  Zr  Zr2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2436  0.1680  0.7218  1.0
  Se  Se4  4  0.2324  0.5000  0.7209  1.0
]