data_[Li6Tb4Hf2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Tb  1.1000  1.7500  0.9815
  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 [6.8746]
_cell_length_b [11.9077]
_cell_length_c [6.9075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.4282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li3Tb2HfSe6]
_chemical_formula_sum '[Li6 Tb4 Hf2 Se12]'
_cell_volume [533.2525]
_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  0.1655  0.5000  1
  Li  Li1  2  0.0000  0.5000  0.5000  1
  Tb  Tb2  4  0.0000  0.3330  0.0000  1
  Hf  Hf3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2435  0.1583  0.2543  1
  Se  Se5  4  0.2327  0.0000  0.7490  1
]