data_[Li4Hf2Sc4Te12]
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 [7.1535]
_cell_length_b [12.3481]
_cell_length_c [7.4468]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5438]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Hf(ScTe3)2]
_chemical_formula_sum '[Li4 Hf2 Sc4 Te12]'
_cell_volume [623.6441]
_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  0.1656  0.0000  1.0
  Hf  Hf1  2  0.0000  0.0000  0.5000  1.0
  Sc  Sc2  4  0.0000  0.3323  0.5000  1.0
  Te  Te3  8  0.2461  0.1643  0.7430  1.0
  Te  Te4  4  0.2499  0.0000  0.2580  1.0
]