# generated using pymatgen
data_Co2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80771930
_cell_length_b   5.80771930
_cell_length_c   5.80771957
_cell_angle_alpha   58.97909506
_cell_angle_beta   58.97909506
_cell_angle_gamma   58.97910362
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2NiO4
_chemical_formula_sum   'Co4 Ni2 O8'
_cell_volume   135.29055153
_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
  Co  Co0  1  0.00000000  0.00000000  0.00000000  1.0
  Co  Co1  1  0.00000000  0.50000000  0.00000000  1.0
  Co  Co2  1  0.50000000  0.00000000  0.00000000  1.0
  Co  Co3  1  0.00000000  0.00000000  0.50000000  1.0
  Ni  Ni4  1  0.62515200  0.62515200  0.62515200  1.0
  Ni  Ni5  1  0.37484800  0.37484800  0.37484800  1.0
  O  O6  1  0.23331100  0.23331100  0.23331100  1.0
  O  O7  1  0.23538800  0.79156900  0.23538800  1.0
  O  O8  1  0.79156900  0.23538800  0.23538800  1.0
  O  O9  1  0.23538800  0.23538800  0.79156900  1.0
  O  O10  1  0.76668900  0.76668900  0.76668900  1.0
  O  O11  1  0.76461200  0.20843100  0.76461200  1.0
  O  O12  1  0.20843100  0.76461200  0.76461200  1.0
  O  O13  1  0.76461200  0.76461200  0.20843100  1.0