# generated using pymatgen
data_Li3Nb(CuO2)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24157627
_cell_length_b   6.24157627
_cell_length_c   5.92263267
_cell_angle_alpha   62.90392767
_cell_angle_beta   62.90392767
_cell_angle_gamma   54.72620680
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Nb(CuO2)4
_chemical_formula_sum   'Li3 Nb1 Cu4 O8'
_cell_volume   161.70788947
_cell_formula_units_Z   1
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  1  0.00000000  0.50000000  0.00000000  1
  Li  Li1  1  0.50000000  0.00000000  0.00000000  1
  Li  Li2  1  0.00000000  0.00000000  0.50000000  1
  Nb  Nb3  1  0.50000000  0.50000000  0.00000000  1
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu5  1  0.50000000  0.00000000  0.50000000  1
  Cu  Cu6  1  0.00000000  0.50000000  0.50000000  1
  Cu  Cu7  1  0.50000000  0.50000000  0.50000000  1
  O  O8  1  0.71659900  0.71659900  0.76618100  1
  O  O9  1  0.26629900  0.78125000  0.21019000  1
  O  O10  1  0.78125000  0.26629900  0.21019000  1
  O  O11  1  0.28340100  0.28340100  0.23381900  1
  O  O12  1  0.29061900  0.29061900  0.68083500  1
  O  O13  1  0.73370100  0.21875000  0.78981000  1
  O  O14  1  0.21875000  0.73370100  0.78981000  1
  O  O15  1  0.70938100  0.70938100  0.31916500  1
