# generated using pymatgen
data_CuNi3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.93505605
_cell_length_b   9.93505605
_cell_length_c   9.93505638
_cell_angle_alpha   17.29278300
_cell_angle_beta   17.29278300
_cell_angle_gamma   17.29277898
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNi3O4
_chemical_formula_sum   'Cu1 Ni3 O4'
_cell_volume   75.61057679
_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
  Cu  Cu0  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.25006200  0.25006200  0.25006200  1.0
  Ni  Ni2  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni3  1  0.74993800  0.74993800  0.74993800  1.0
  O  O4  1  0.12505300  0.12505300  0.12505300  1.0
  O  O5  1  0.37643000  0.37643000  0.37643000  1.0
  O  O6  1  0.62357000  0.62357000  0.62357000  1.0
  O  O7  1  0.87494700  0.87494700  0.87494700  1.0