data_[Li20Cu4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [14.3672]
_cell_length_b [6.4359]
_cell_length_c [9.0920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Li5CuTe3]
_chemical_formula_sum '[Li20 Cu4 Te12]'
_cell_volume [797.6758]
_cell_formula_units_Z [4]
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  8  0.1643  0.2495  0.5834  1
  Li  Li1  8  0.1645  0.2502  0.0806  1
  Li  Li2  4  0.0000  0.2490  0.2500  1
  Cu  Cu3  4  0.0000  0.2558  0.7500  1
  Te  Te4  8  0.1635  0.4940  0.8315  1
  Te  Te5  4  0.0000  0.0000  0.0000  1
]