data_[Na2Li2Hf2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.4772]
_cell_length_b [3.9084]
_cell_length_c [10.3048]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.0927]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [NaLiHfSe3]
_chemical_formula_sum '[Na2 Li2 Hf2 Se6]'
_cell_volume [293.3157]
_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  2  0.3766  0.2500  0.3323  1.0
  Li  Li1  2  0.3433  0.7500  0.9365  1.0
  Hf  Hf2  2  0.1320  0.2500  0.6761  1.0
  Se  Se3  2  0.0113  0.7500  0.8078  1.0
  Se  Se4  2  0.2128  0.7500  0.5068  1.0
  Se  Se5  2  0.4633  0.2500  0.8196  1.0
]