# generated using pymatgen
data_LaNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38158076
_cell_length_b   7.64870062
_cell_length_c   5.47279044
_cell_angle_alpha   90.00197525
_cell_angle_beta   89.97864889
_cell_angle_gamma   91.06179479
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNiO3
_chemical_formula_sum   'La4 Ni4 O12'
_cell_volume   225.23285094
_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
  La  La0  1  0.49987691  0.75009518  0.00166648  1.0
  La  La1  1  -0.00019781  0.24996570  0.50162049  1.0
  La  La2  1  0.50019923  0.24997233  0.99833555  1.0
  La  La3  1  0.00013941  0.74995435  0.49830161  1.0
  Ni  Ni4  1  0.50000433  -0.00000992  0.50003421  1.0
  Ni  Ni5  1  -0.00000297  -0.00000607  -0.00000518  1.0
  Ni  Ni6  1  0.00000298  0.50000313  0.99996974  1.0
  Ni  Ni7  1  0.49999130  0.50001318  0.50000932  1.0
  O  O8  1  0.76914497  0.46940422  0.73070618  1.0
  O  O9  1  0.26910338  0.96942483  0.23076693  1.0
  O  O10  1  0.99905632  0.24994685  0.05898790  1.0
  O  O11  1  0.49905362  0.74994318  0.55899132  1.0
  O  O12  1  0.73075543  0.53131285  0.23090057  1.0
  O  O13  1  0.23077274  0.03129186  0.73095564  1.0
  O  O14  1  0.23086518  0.53059545  0.26926050  1.0
  O  O15  1  0.73088230  0.03058186  0.76928673  1.0
  O  O16  1  0.26923909  0.46869312  0.76908303  1.0
  O  O17  1  0.76923285  0.96870428  0.26908460  1.0
  O  O18  1  0.00094370  0.75005170  0.94102255  1.0
  O  O19  1  0.50093503  0.25005992  0.44102082  1.0