# generated using pymatgen
data_Ni8Bi8SI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.84904900
_cell_length_b   9.84904900
_cell_length_c   4.21037100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni8Bi8SI
_chemical_formula_sum   'Ni8 Bi8 S1 I1'
_cell_volume   408.42184412
_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  0.08803400  0.82034700  0.50140400  1.0
  Ni  Ni1  1  0.91196600  0.17965300  0.50140400  1.0
  Ni  Ni2  1  0.82034700  0.91196600  0.50140400  1.0
  Ni  Ni3  1  0.17965300  0.08803400  0.50140400  1.0
  Ni  Ni4  1  0.18957700  0.93800200  0.00130100  1.0
  Ni  Ni5  1  0.81042300  0.06199800  0.00130100  1.0
  Ni  Ni6  1  0.93800200  0.81042300  0.00130100  1.0
  Ni  Ni7  1  0.06199800  0.18957700  0.00130100  1.0
  Bi  Bi8  1  0.35655200  0.87804700  0.50254300  1.0
  Bi  Bi9  1  0.64344800  0.12195300  0.50254300  1.0
  Bi  Bi10  1  0.87804700  0.64344800  0.50254300  1.0
  Bi  Bi11  1  0.12195300  0.35655200  0.50254300  1.0
  Bi  Bi12  1  0.17128500  0.66330600  0.00022000  1.0
  Bi  Bi13  1  0.82871500  0.33669400  0.00022000  1.0
  Bi  Bi14  1  0.66330600  0.82871500  0.00022000  1.0
  Bi  Bi15  1  0.33669400  0.17128500  0.00022000  1.0
  S  S16  1  0.00000000  0.00000000  0.25225300  1.0
  I  I17  1  0.50000000  0.50000000  0.51527500  1.0