# generated using pymatgen
data_LaNiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38148990
_cell_length_b   5.38149011
_cell_length_c   5.38148356
_cell_angle_alpha   60.90056947
_cell_angle_beta   60.90059495
_cell_angle_gamma   60.90047373
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaNiO3
_chemical_formula_sum   'La2 Ni2 O6'
_cell_volume   112.43959122
_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
  La  La0  1  0.74999975  0.74999975  0.74999975  1.0
  La  La1  1  0.25000025  0.25000025  0.25000025  1.0
  Ni  Ni2  1  0.50000000  0.50000000  0.50000000  1.0
  Ni  Ni3  1  -0.00000000  0.00000000  0.00000000  1.0
  O  O4  1  0.30375944  0.74994213  0.19632510  1.0
  O  O5  1  0.74994313  0.19632510  0.30376044  1.0
  O  O6  1  0.19632610  0.30375944  0.74994213  1.0
  O  O7  1  0.69624056  0.25005787  0.80367490  1.0
  O  O8  1  0.80367390  0.69624056  0.25005787  1.0
  O  O9  1  0.25005687  0.80367490  0.69623956  1.0