data_[Li4Hf4Sc2Te12]
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
  Sc  1.3600  1.6000  0.8850
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.0253]
_cell_length_b [12.1972]
_cell_length_c [7.4798]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4229]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Hf2ScTe6]
_chemical_formula_sum '[Li4 Hf4 Sc2 Te12]'
_cell_volume [608.0945]
_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  0.1667  0.0000  1.0
  Hf  Hf1  4  0.0000  0.3325  0.5000  1.0
  Sc  Sc2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.2488  0.6676  0.2544  1.0
  Te  Te4  4  0.2437  0.5000  0.7438  1.0
]