data_[Li4Hf2Cu4Te8]
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
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0400]
_cell_length_b [4.0360]
_cell_length_c [8.3646]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1393]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Hf(CuTe2)2]
_chemical_formula_sum '[Li4 Hf2 Cu4 Te8]'
_cell_volume [451.8434]
_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  0.1315  0.0000  0.7310  1.0
  Hf  Hf1  2  0.0000  0.0000  0.0000  1.0
  Cu  Cu2  4  0.1832  0.5000  0.9892  1.0
  Te  Te3  4  0.0052  0.5000  0.2567  1.0
  Te  Te4  4  0.2181  0.0000  0.2153  1.0
]