# generated using pymatgen
data_Li2CuNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68717094
_cell_length_b   6.01392038
_cell_length_c   5.68702224
_cell_angle_alpha   64.07062110
_cell_angle_beta   87.78599344
_cell_angle_gamma   118.14641049
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuNiO4
_chemical_formula_sum   'Li4 Cu2 Ni2 O8'
_cell_volume   146.70204410
_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  0.99999600  0.00000000  0.50000000  1
  Li  Li1  1  0.49999700  0.50000000  0.49999800  1
  Li  Li2  1  0.49999800  0.50000100  0.99999700  1
  Li  Li3  1  0.49999900  0.00000000  0.49999900  1
  Cu  Cu4  1  0.00001300  0.50000200  0.50000200  1
  Cu  Cu5  1  0.00000000  0.99999700  0.00000200  1
  Ni  Ni6  1  0.50000800  0.00000300  0.00001100  1
  Ni  Ni7  1  0.00000600  0.49999900  0.00000100  1
  O  O8  1  0.19256200  0.93286400  0.79256300  1
  O  O9  1  0.27459600  0.56713200  0.24034000  1
  O  O10  1  0.72540200  0.43286900  0.75965400  1
  O  O11  1  0.80743400  0.06713600  0.20743600  1
  O  O12  1  0.26414200  0.05403300  0.18900200  1
  O  O13  1  0.75697900  0.44599300  0.28987400  1
  O  O14  1  0.24301600  0.55400500  0.71012400  1
  O  O15  1  0.73585300  0.94596600  0.81099700  1
