# generated using pymatgen
data_CuNi3O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86304942
_cell_length_b   5.86277859
_cell_length_c   6.07257645
_cell_angle_alpha   61.13640297
_cell_angle_beta   61.13483863
_cell_angle_gamma   90.00069791
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuNi3O4
_chemical_formula_sum   'Cu2 Ni6 O8'
_cell_volume   152.52431614
_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
  Cu  Cu0  1  0.99998300  0.49998100  0.00003000  1.0
  Cu  Cu1  1  0.49998000  0.49999900  0.99998800  1.0
  Ni  Ni2  1  0.50000200  0.99999700  0.00000000  1.0
  Ni  Ni3  1  0.00001000  0.00000300  0.49999700  1.0
  Ni  Ni4  1  0.50000500  0.00000700  0.49999300  1.0
  Ni  Ni5  1  0.99999600  0.00000000  0.99999900  1.0
  Ni  Ni6  1  0.00001000  0.50000700  0.49999500  1.0
  Ni  Ni7  1  0.50001100  0.50000400  0.49999700  1.0
  O  O8  1  0.72752300  0.22743400  0.54496100  1.0
  O  O9  1  0.22768800  0.22776600  0.54463200  1.0
  O  O10  1  0.27248500  0.77256600  0.45503800  1.0
  O  O11  1  0.77231900  0.77223900  0.45536800  1.0
  O  O12  1  0.75031600  0.26341400  0.99996900  1.0
  O  O13  1  0.24976400  0.26340300  0.99997200  1.0
  O  O14  1  0.75023100  0.73659000  0.00002900  1.0
  O  O15  1  0.24967800  0.73659000  0.00003200  1.0