# generated using pymatgen
data_Li2CuNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86708284
_cell_length_b   5.86708284
_cell_length_c   5.86708284
_cell_angle_alpha   121.07338573
_cell_angle_beta   120.71931667
_cell_angle_gamma   88.45464227
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuNiO4
_chemical_formula_sum   'Li4 Cu2 Ni2 O8'
_cell_volume   140.81558369
_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  1  0.50000000  0.00000000  0.00000000  1
  Li  Li1  1  0.00000000  0.50000000  0.50000000  1
  Li  Li2  1  0.50000000  0.50000000  0.50000000  1
  Li  Li3  1  0.50000000  0.50000000  0.00000000  1
  Cu  Cu4  1  0.50000000  0.00000000  0.50000000  1
  Cu  Cu5  1  0.00000000  0.00000000  0.00000000  1
  Ni  Ni6  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni7  1  0.00000000  0.50000000  0.00000000  1
  O  O8  1  0.77035700  0.74717800  0.02317900  1
  O  O9  1  0.22785600  0.73748000  0.00962400  1
  O  O10  1  0.22400000  0.74717800  0.47682100  1
  O  O11  1  0.22785600  0.21823200  0.49037600  1
  O  O12  1  0.77214400  0.78176800  0.50962400  1
  O  O13  1  0.77600000  0.25282200  0.52317900  1
  O  O14  1  0.77214400  0.26252000  0.99037600  1
  O  O15  1  0.22964300  0.25282200  0.97682100  1
