# generated using pymatgen
data_LiNbCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81878100
_cell_length_b   5.81878100
_cell_length_c   9.70383800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiNbCuO4
_chemical_formula_sum   'Li4 Nb4 Cu4 O16'
_cell_volume   328.55460738
_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  1  0.50000000  0.74005500  0.00000000  1
  Li  Li1  1  0.50000000  0.25994500  0.50000000  1
  Li  Li2  1  0.74005500  0.50000000  0.25000000  1
  Li  Li3  1  0.25994500  0.50000000  0.75000000  1
  Nb  Nb4  1  0.75850100  0.75850100  0.62500000  1
  Nb  Nb5  1  0.75850100  0.24149900  0.87500000  1
  Nb  Nb6  1  0.24149900  0.75850100  0.37500000  1
  Nb  Nb7  1  0.24149900  0.24149900  0.12500000  1
  Cu  Cu8  1  0.73935600  0.00000000  0.25000000  1
  Cu  Cu9  1  0.00000000  0.73935600  0.00000000  1
  Cu  Cu10  1  0.00000000  0.26064400  0.50000000  1
  Cu  Cu11  1  0.26064400  0.00000000  0.75000000  1
  O  O12  1  0.50304300  0.75851400  0.25911400  1
  O  O13  1  0.50304300  0.24148600  0.24088600  1
  O  O14  1  0.75851400  0.50304300  0.99088600  1
  O  O15  1  0.75851400  0.49695700  0.50911400  1
  O  O16  1  0.75939000  0.98102300  0.99032800  1
  O  O17  1  0.75939000  0.01897700  0.50967200  1
  O  O18  1  0.98102300  0.75939000  0.25967200  1
  O  O19  1  0.98102300  0.24061000  0.24032800  1
  O  O20  1  0.01897700  0.75939000  0.74032800  1
  O  O21  1  0.01897700  0.24061000  0.75967200  1
  O  O22  1  0.24061000  0.01897700  0.49032800  1
  O  O23  1  0.24061000  0.98102300  0.00967200  1
  O  O24  1  0.24148600  0.50304300  0.00911400  1
  O  O25  1  0.24148600  0.49695700  0.49088600  1
  O  O26  1  0.49695700  0.75851400  0.74088600  1
  O  O27  1  0.49695700  0.24148600  0.75911400  1
