# generated using pymatgen
data_LuNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.05126451
_cell_length_b   5.46733495
_cell_length_c   7.27169880
_cell_angle_alpha   90.00129829
_cell_angle_beta   90.00047976
_cell_angle_gamma   90.00007984
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LuNiO3
_chemical_formula_sum   'Lu4 Ni4 O12'
_cell_volume   200.82217848
_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
  Lu  Lu0  1  0.52346934  0.58154204  0.25009194  1.0
  Lu  Lu1  1  0.97653502  0.08154698  0.25008646  1.0
  Lu  Lu2  1  0.47653433  0.41845509  0.74990877  1.0
  Lu  Lu3  1  0.02347295  0.91845663  0.74991300  1.0
  Ni  Ni4  1  0.00000793  0.50000588  -0.00000440  1.0
  Ni  Ni5  1  0.49999949  -0.00000556  0.49999955  1.0
  Ni  Ni6  1  0.00000735  0.50000554  0.50000531  1.0
  Ni  Ni7  1  0.49999853  -0.00000693  0.00000081  1.0
  O  O8  1  0.38527089  0.96294503  0.24995617  1.0
  O  O9  1  0.11472638  0.46295177  0.25002153  1.0
  O  O10  1  0.61472572  0.03705115  0.75004360  1.0
  O  O11  1  0.88527012  0.53705091  0.74997775  1.0
  O  O12  1  0.81023395  0.80867288  0.05616371  1.0
  O  O13  1  0.68973826  0.30866770  0.44385473  1.0
  O  O14  1  0.18969394  0.19137545  0.55614600  1.0
  O  O15  1  0.31030248  0.69139109  0.94383572  1.0
  O  O16  1  0.18976181  0.19133046  0.94383679  1.0
  O  O17  1  0.31025663  0.69132856  0.55614807  1.0
  O  O18  1  0.81030480  0.80862784  0.44385331  1.0
  O  O19  1  0.68969007  0.30860751  0.05616117  1.0