data_[Li6Hf2V4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Hf  1.3000  1.5500  0.8500
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.4878]
_cell_length_b [11.2464]
_cell_length_c [6.7836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6132]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Hf(VSe3)2]
_chemical_formula_sum '[Li6 Hf2 V4 Se12]'
_cell_volume [469.0774]
_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
[
  Li  Li0  4  0.0000  0.1631  0.5000  1.0
  Li  Li1  2  0.0000  0.5000  0.5000  1.0
  Hf  Hf2  2  0.0000  0.0000  0.0000  1.0
  V  V3  4  0.0000  0.3321  0.0000  1.0
  Se  Se4  8  0.2499  0.1705  0.2368  1.0
  Se  Se5  4  0.2369  0.5000  0.2357  1.0
]