# generated using pymatgen
data_Li2CuNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93410500
_cell_length_b   4.99299100
_cell_length_c   5.03192066
_cell_angle_alpha   71.40219778
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Li2CuNiO4
_chemical_formula_sum   'Li2 Cu1 Ni1 O4'
_cell_volume   69.86795861
_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  0.00000000  1
  Li  Li1  1  0.50000000  0.50000000  0.00000000  1
  Cu  Cu2  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni3  1  0.50000000  0.00000000  0.50000000  1
  O  O4  1  0.00000000  0.75532200  0.73768500  1
  O  O5  1  0.50000000  0.24530700  0.71583700  1
  O  O6  1  0.00000000  0.24467800  0.26231500  1
  O  O7  1  0.50000000  0.75469300  0.28416300  1
