# generated using pymatgen
data_LiNbCuO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22398000
_cell_length_b   6.22398000
_cell_length_c   8.23351800
_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   318.94941957
_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  0.71696400  0.00000000  1
  Li  Li1  1  0.50000000  0.28303600  0.50000000  1
  Li  Li2  1  0.71696400  0.50000000  0.25000000  1
  Li  Li3  1  0.28303600  0.50000000  0.75000000  1
  Nb  Nb4  1  0.71253700  0.00000000  0.25000000  1
  Nb  Nb5  1  0.00000000  0.71253700  0.00000000  1
  Nb  Nb6  1  0.00000000  0.28746300  0.50000000  1
  Nb  Nb7  1  0.28746300  0.00000000  0.75000000  1
  Cu  Cu8  1  0.75682600  0.75682600  0.62500000  1
  Cu  Cu9  1  0.75682600  0.24317400  0.87500000  1
  Cu  Cu10  1  0.24317400  0.75682600  0.37500000  1
  Cu  Cu11  1  0.24317400  0.24317400  0.12500000  1
  O  O12  1  0.51903700  0.76277800  0.26002600  1
  O  O13  1  0.51903700  0.23722200  0.23997400  1
  O  O14  1  0.76277800  0.51903700  0.98997400  1
  O  O15  1  0.76277800  0.48096300  0.51002600  1
  O  O16  1  0.76540700  0.97569200  0.00889100  1
  O  O17  1  0.76540700  0.02430800  0.49110900  1
  O  O18  1  0.97569200  0.76540700  0.24110900  1
  O  O19  1  0.97569200  0.23459300  0.25889100  1
  O  O20  1  0.02430800  0.76540700  0.75889100  1
  O  O21  1  0.02430800  0.23459300  0.74110900  1
  O  O22  1  0.23459300  0.02430800  0.50889100  1
  O  O23  1  0.23459300  0.97569200  0.99110900  1
  O  O24  1  0.23722200  0.51903700  0.01002600  1
  O  O25  1  0.23722200  0.48096300  0.48997400  1
  O  O26  1  0.48096300  0.76277800  0.73997400  1
  O  O27  1  0.48096300  0.23722200  0.76002600  1
