# generated using pymatgen
data_NiSO9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79549021
_cell_length_b   5.79549021
_cell_length_c   5.79549060
_cell_angle_alpha   98.13429905
_cell_angle_beta   98.13429905
_cell_angle_gamma   98.13429720
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NiSO9
_chemical_formula_sum   'Ni1 S1 O9'
_cell_volume   188.15139206
_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  0.00062000  0.00062000  0.00062000  1.0
  S  S1  1  0.45108500  0.45108500  0.45108500  1.0
  O  O2  1  0.56884100  0.26383600  0.52040800  1.0
  O  O3  1  0.26383600  0.52040800  0.56884100  1.0
  O  O4  1  0.52040800  0.56884100  0.26383600  1.0
  O  O5  1  0.08153400  0.93117200  0.71011900  1.0
  O  O6  1  0.93117200  0.71011900  0.08153400  1.0
  O  O7  1  0.71011900  0.08153400  0.93117200  1.0
  O  O8  1  0.30364900  0.94777800  0.02495700  1.0
  O  O9  1  0.94777800  0.02495700  0.30364900  1.0
  O  O10  1  0.02495700  0.30364900  0.94777800  1.0