data_[Li2V2Cu2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  V  1.6300  1.3500  0.7775
  Cu  1.9000  1.3500  0.8200
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.9765]
_cell_length_b [3.7755]
_cell_length_c [9.6020]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6618]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [LiVCuTe3]
_chemical_formula_sum '[Li2 V2 Cu2 Te6]'
_cell_volume [278.4290]
_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  2  0.2219  0.2500  0.2832  1.0
  V  V1  2  0.3096  0.7500  0.8239  1.0
  Cu  Cu2  2  0.0729  0.2500  0.5935  1.0
  Te  Te3  2  0.0790  0.2500  0.8613  1.0
  Te  Te4  2  0.2727  0.7500  0.5329  1.0
  Te  Te5  2  0.4251  0.7500  0.1303  1.0
]