# generated using pymatgen
data_NiBiO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91821464
_cell_length_b   3.91821464
_cell_length_c   3.87091793
_cell_angle_alpha   89.27844767
_cell_angle_beta   89.27844767
_cell_angle_gamma   88.36897960
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiBiO3
_chemical_formula_sum   'Ni1 Bi1 O3'
_cell_volume   59.39466570
_cell_formula_units_Z   1
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
  Ni  Ni0  1  0.50880800  0.50880800  0.50745100  1.0
  Bi  Bi1  1  0.93659600  0.93659600  0.96894900  1.0
  O  O2  1  0.01780800  0.55101500  0.52171800  1.0
  O  O3  1  0.55101500  0.01780800  0.52171800  1.0
  O  O4  1  0.53917700  0.53917700  0.00998900  1.0