# generated using pymatgen
data_Cr2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.84841080
_cell_length_b   6.01276628
_cell_length_c   5.87476175
_cell_angle_alpha   60.74422480
_cell_angle_beta   90.00158908
_cell_angle_gamma   118.88815003
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiO4
_chemical_formula_sum   'Cr4 Ni2 O8'
_cell_volume   150.08346513
_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  0.99999200  0.00000300  0.99999800  1.0
  Cr  Cr1  1  0.50000000  0.99999500  0.00000500  1.0
  Cr  Cr2  1  0.99999600  0.49999400  0.50000800  1.0
  Cr  Cr3  1  0.00000100  0.50000400  0.99999700  1.0
  Ni  Ni4  1  0.37483100  0.24978100  0.37508700  1.0
  Ni  Ni5  1  0.62516600  0.75021500  0.62491700  1.0
  O  O6  1  0.74497800  0.46201100  0.76894700  1.0
  O  O7  1  0.76803700  0.03723600  0.74425300  1.0
  O  O8  1  0.76797700  0.03710900  0.21859200  1.0
  O  O9  1  0.25502600  0.53800900  0.23103900  1.0
  O  O10  1  0.78173900  0.53634800  0.23186700  1.0
  O  O11  1  0.23197400  0.96277200  0.25573900  1.0
  O  O12  1  0.21825700  0.46364000  0.76813400  1.0
  O  O13  1  0.23202700  0.96288200  0.78141700  1.0