# generated using pymatgen
data_Li2CuNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.09330097
_cell_length_b   8.36264300
_cell_length_c   4.09341559
_cell_angle_alpha   90.00134675
_cell_angle_beta   90.06858528
_cell_angle_gamma   89.99884914
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuNiO4
_chemical_formula_sum   'Li4 Cu2 Ni2 O8'
_cell_volume   140.12085006
_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  0.50000100  0.74999000  0.00000000  1
  Li  Li1  1  0.00000000  0.25001000  0.50000100  1
  Li  Li2  1  0.99999700  0.50016100  0.99999800  1
  Li  Li3  1  0.49999800  0.99984000  0.49999900  1
  Cu  Cu4  1  0.99999300  0.75003500  0.49999300  1
  Cu  Cu5  1  0.49999400  0.24996600  0.99999500  1
  Ni  Ni6  1  0.49999200  0.49998500  0.49999900  1
  Ni  Ni7  1  0.00000600  0.00001500  0.99999300  1
  O  O8  1  0.00001500  0.97629500  0.50000200  1
  O  O9  1  0.50001600  0.47614300  0.00000200  1
  O  O10  1  0.99999900  0.52371400  0.50001500  1
  O  O11  1  0.50000000  0.02385000  0.00001700  1
  O  O12  1  0.99999500  0.76482700  0.99999500  1
  O  O13  1  0.49999700  0.26484000  0.49999900  1
  O  O14  1  0.99999800  0.23514700  0.99999700  1
  O  O15  1  0.49999700  0.73518200  0.49999700  1
