# generated using pymatgen
data_CrNiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.90740825
_cell_length_b   4.90740774
_cell_length_c   6.09936133
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   112.40249124
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrNiO4
_chemical_formula_sum   'Cr2 Ni2 O8'
_cell_volume   135.80302713
_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
  Cr  Cr0  1  0.64227638  0.35772262  0.25000000  1.0
  Cr  Cr1  1  0.35772362  0.64227738  0.75000000  1.0
  Ni  Ni2  1  0.00000000  -0.00000000  0.50000000  1.0
  Ni  Ni3  1  0.00000000  -0.00000000  0.00000000  1.0
  O  O4  1  0.21983024  0.26803486  0.75000000  1.0
  O  O5  1  0.78016976  0.73196514  0.25000000  1.0
  O  O6  1  0.26803386  0.21983124  0.25000000  1.0
  O  O7  1  0.73196614  0.78016876  0.75000000  1.0
  O  O8  1  0.24100100  0.75900000  0.96503443  1.0
  O  O9  1  0.75899900  0.24100000  0.46503443  1.0
  O  O10  1  0.75899900  0.24100000  0.03496557  1.0
  O  O11  1  0.24100100  0.75900000  0.53496557  1.0