# generated using pymatgen
data_Ni8Bi8SI2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18283700
_cell_length_b   9.97145600
_cell_length_c   21.71127200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni8Bi8SI2
_chemical_formula_sum   'Ni16 Bi16 S2 I4'
_cell_volume   905.55490325
_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
  Ni  Ni0  1  0.75025500  0.31205800  0.97019200  1.0
  Ni  Ni1  1  0.75025500  0.68794200  0.02980800  1.0
  Ni  Ni2  1  0.24974500  0.81205800  0.52980800  1.0
  Ni  Ni3  1  0.24974500  0.18794200  0.47019200  1.0
  Ni  Ni4  1  0.24979100  0.58862100  0.08559400  1.0
  Ni  Ni5  1  0.24979100  0.41137900  0.91440600  1.0
  Ni  Ni6  1  0.75020900  0.08862100  0.41440600  1.0
  Ni  Ni7  1  0.75020900  0.91137900  0.58559400  1.0
  Ni  Ni8  1  0.24910400  0.32437200  0.04158900  1.0
  Ni  Ni9  1  0.24910400  0.67562800  0.95841100  1.0
  Ni  Ni10  1  0.75089600  0.82437200  0.45841100  1.0
  Ni  Ni11  1  0.75089600  0.17562800  0.54158900  1.0
  Ni  Ni12  1  0.75010300  0.43886200  0.08868500  1.0
  Ni  Ni13  1  0.75010300  0.56113800  0.91131500  1.0
  Ni  Ni14  1  0.24989700  0.93886200  0.41131500  1.0
  Ni  Ni15  1  0.24989700  0.06113800  0.58868500  1.0
  Bi  Bi16  1  0.24968500  0.37942200  0.16591900  1.0
  Bi  Bi17  1  0.24968500  0.62057800  0.83408100  1.0
  Bi  Bi18  1  0.75031500  0.87942200  0.33408100  1.0
  Bi  Bi19  1  0.75031500  0.12057800  0.66591900  1.0
  Bi  Bi20  1  0.75031300  0.16686100  0.07908300  1.0
  Bi  Bi21  1  0.75031300  0.83313900  0.92091700  1.0
  Bi  Bi22  1  0.24968700  0.66686100  0.42091700  1.0
  Bi  Bi23  1  0.24968700  0.33313900  0.57908300  1.0
  Bi  Bi24  1  0.24970500  0.14442300  0.94709900  1.0
  Bi  Bi25  1  0.24970500  0.85557700  0.05290100  1.0
  Bi  Bi26  1  0.75029500  0.64442300  0.55290100  1.0
  Bi  Bi27  1  0.75029500  0.35557700  0.44709900  1.0
  Bi  Bi28  1  0.75030000  0.67243000  0.15631700  1.0
  Bi  Bi29  1  0.75030000  0.32757000  0.84368300  1.0
  Bi  Bi30  1  0.24970000  0.17243000  0.34368300  1.0
  Bi  Bi31  1  0.24970000  0.82757000  0.65631700  1.0
  S  S32  1  0.49543900  0.50000000  0.00000000  1.0
  S  S33  1  0.50456100  0.00000000  0.50000000  1.0
  I  I34  1  0.24982800  0.00502300  0.79607300  1.0
  I  I35  1  0.24982800  0.99497700  0.20392700  1.0
  I  I36  1  0.75017200  0.50502300  0.70392700  1.0
  I  I37  1  0.75017200  0.49497700  0.29607300  1.0