data_[Na8Hf4Se12]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.9567]
_cell_length_b [12.0785]
_cell_length_c [7.3315]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.7690]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Na2HfSe3]
_chemical_formula_sum '[Na8 Hf4 Se12]'
_cell_volume [583.2810]
_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  4  0.0000  0.1572  0.0000  1.0
  Na  Na1  2  0.0000  0.0000  0.5000  1.0
  Na  Na2  2  0.0000  0.5000  0.0000  1.0
  Hf  Hf3  4  0.0000  0.3313  0.5000  1.0
  Se  Se4  8  0.2433  0.3183  0.2781  1.0
  Se  Se5  4  0.2113  0.5000  0.7202  1.0
]