# generated using pymatgen
data_YNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16370850
_cell_length_b   5.50626840
_cell_length_c   7.38760105
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YNiO3
_chemical_formula_sum   'Y4 Ni4 O12'
_cell_volume   210.04992413
_cell_formula_units_Z   4
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
  Y  Y0  1  0.48102473  0.42702572  0.75000000  1.0
  Y  Y1  1  0.01897527  0.92702572  0.75000000  1.0
  Y  Y2  1  0.51897527  0.57297428  0.25000000  1.0
  Y  Y3  1  0.98102473  0.07297428  0.25000000  1.0
  Ni  Ni4  1  -0.00000000  0.50000000  -0.00000000  1.0
  Ni  Ni5  1  0.50000000  -0.00000000  0.50000000  1.0
  Ni  Ni6  1  -0.00000000  0.50000000  0.50000000  1.0
  Ni  Ni7  1  0.50000000  -0.00000000  -0.00000000  1.0
  O  O8  1  0.69566590  0.30309283  0.45032928  1.0
  O  O9  1  0.80433410  0.80309283  0.04967072  1.0
  O  O10  1  0.30433410  0.69690717  0.54967072  1.0
  O  O11  1  0.19566590  0.19690717  0.95032928  1.0
  O  O12  1  0.19566590  0.19690717  0.54967072  1.0
  O  O13  1  0.30433410  0.69690717  0.95032928  1.0
  O  O14  1  0.80433410  0.80309283  0.45032928  1.0
  O  O15  1  0.69566590  0.30309283  0.04967072  1.0
  O  O16  1  0.09856187  0.47212432  0.25000000  1.0
  O  O17  1  0.40143813  0.97212432  0.25000000  1.0
  O  O18  1  0.90143813  0.52787568  0.75000000  1.0
  O  O19  1  0.59856187  0.02787568  0.75000000  1.0