# generated using pymatgen
data_BaNiIO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11635526
_cell_length_b   5.11635410
_cell_length_c   5.83840788
_cell_angle_alpha   90.00000734
_cell_angle_beta   89.99999748
_cell_angle_gamma   119.99999567
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaNiIO6
_chemical_formula_sum   'Ba1 Ni1 I1 O6'
_cell_volume   132.35683405
_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
  Ba  Ba0  1  0.00000015  1.00000000  0.00000008  1.0
  Ni  Ni1  1  0.33333366  0.66666727  0.50000042  1.0
  I  I2  1  0.66666649  0.33333299  0.50000022  1.0
  O  O3  1  0.38954349  0.01073157  0.68452271  1.0
  O  O4  1  0.98926839  0.37881185  0.68452273  1.0
  O  O5  1  0.62118802  0.61045644  0.68452285  1.0
  O  O6  1  0.98926825  0.61045653  0.31547699  1.0
  O  O7  1  0.62118806  0.01073159  0.31547707  1.0
  O  O8  1  0.38954349  0.37881175  0.31547694  1.0