data_[Li8Cu6O12]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.0955]
_cell_length_b [3.5274]
_cell_length_c [8.3761]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0768]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Li4(CuO2)3]
_chemical_formula_sum '[Li8 Cu6 O12]'
_cell_volume [286.6150]
_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  0.2203  0.0000  0.5595  1.0
  Li  Li1  2  0.2210  0.0000  0.2554  1.0
  Li  Li2  2  0.2764  0.5000  0.0786  1.0
  Li  Li3  2  0.2814  0.5000  0.7740  1.0
  Cu  Cu4  2  0.0010  0.5000  0.6658  1.0
  Cu  Cu5  2  0.0029  0.5000  0.3372  1.0
  Cu  Cu6  2  0.4956  0.0000  0.9963  1.0
  O  O7  2  0.1280  0.5000  0.8719  1.0
  O  O8  2  0.1308  0.5000  0.2116  1.0
  O  O9  2  0.1335  0.5000  0.5481  1.0
  O  O10  2  0.3651  0.0000  0.7766  1.0
  O  O11  2  0.3674  0.0000  0.1331  1.0
  O  O12  2  0.3749  0.0000  0.4586  1.0
]