# generated using pymatgen
data_Co2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71920812
_cell_length_b   5.71360396
_cell_length_c   8.14697489
_cell_angle_alpha   45.58674303
_cell_angle_beta   45.36660436
_cell_angle_gamma   60.06633692
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2NiO4
_chemical_formula_sum   'Co4 Ni2 O8'
_cell_volume   135.31024793
_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  0.75000000  0.75000000  0.87500000  1.0
  Co  Co1  1  0.75000000  0.25000000  0.37500000  1.0
  Co  Co2  1  0.25000000  0.75000000  0.37500000  1.0
  Co  Co3  1  0.25000000  0.25000000  0.37500000  1.0
  Ni  Ni4  1  0.49542100  0.49787500  0.75473100  1.0
  Ni  Ni5  1  0.00457900  0.00212500  0.99526900  1.0
  O  O6  1  0.27983700  0.28141100  0.57920700  1.0
  O  O7  1  0.27495000  0.72050800  0.14161900  1.0
  O  O8  1  0.72227600  0.27572100  0.13988500  1.0
  O  O9  1  0.72212000  0.72129700  0.14075900  1.0
  O  O10  1  0.22016300  0.21858900  0.17079300  1.0
  O  O11  1  0.22505000  0.77949200  0.60838100  1.0
  O  O12  1  0.77772400  0.22427900  0.61011500  1.0
  O  O13  1  0.77788000  0.77870300  0.60924100  1.0