# generated using pymatgen
data_Li3Cu4NiO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32044787
_cell_length_b   6.32044808
_cell_length_c   6.17974299
_cell_angle_alpha   78.57456145
_cell_angle_beta   53.13109764
_cell_angle_gamma   52.62325545
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li3Cu4NiO8
_chemical_formula_sum   'Li3 Cu4 Ni1 O8'
_cell_volume   151.49018562
_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  0.00000000  0.50000000  1
  Li  Li1  1  0.50000000  0.00000000  0.50000000  1
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1
  Cu  Cu3  1  0.00000000  0.50000000  0.50000000  1
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1
  Cu  Cu5  1  0.50000000  0.00000000  0.00000000  1
  Cu  Cu6  1  0.00000000  0.50000000  0.00000000  1
  Ni  Ni7  1  0.50000000  0.50000000  0.00000000  1
  O  O8  1  0.46341400  0.28081200  0.81739900  1
  O  O9  1  0.99944400  0.23067700  0.70466600  1
  O  O10  1  0.52601100  0.70411100  0.70466600  1
  O  O11  1  0.96088100  0.79900100  0.83811900  1
  O  O12  1  0.03911900  0.20099900  0.16188100  1
  O  O13  1  0.47398900  0.29588900  0.29533400  1
  O  O14  1  0.00055600  0.76932300  0.29533400  1
  O  O15  1  0.53658600  0.71918800  0.18260100  1
