# generated using pymatgen
data_Cr2NiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.97375323
_cell_length_b   6.01396580
_cell_length_c   5.97098394
_cell_angle_alpha   60.50543486
_cell_angle_beta   90.07965713
_cell_angle_gamma   120.30107231
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2NiO4
_chemical_formula_sum   'Cr4 Ni2 O8'
_cell_volume   152.24770525
_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  0.50025200  0.99925000  0.00058300  1.0
  Cr  Cr1  1  0.00085800  0.50067300  0.49923600  1.0
  Cr  Cr2  1  0.99990600  0.49889500  0.00008800  1.0
  Cr  Cr3  1  0.99981700  0.00065900  0.99993400  1.0
  Ni  Ni4  1  0.62909900  0.74908800  0.62584400  1.0
  Ni  Ni5  1  0.37329800  0.24885200  0.37918800  1.0
  O  O6  1  0.75852600  0.47049500  0.76314800  1.0
  O  O7  1  0.76154800  0.02766500  0.75572100  1.0
  O  O8  1  0.76105300  0.02523900  0.21725800  1.0
  O  O9  1  0.24179700  0.52476500  0.23610100  1.0
  O  O10  1  0.78298300  0.52667400  0.23497200  1.0
  O  O11  1  0.23833200  0.97847500  0.23942400  1.0
  O  O12  1  0.21819800  0.47818400  0.76005400  1.0
  O  O13  1  0.23433300  0.97108800  0.78844900  1.0