# generated using pymatgen
data_Ni4(Bi4I)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.30193412
_cell_length_b   8.30193412
_cell_length_c   34.93053600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   151.50991778
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ni4(Bi4I)3
_chemical_formula_sum   'Ni8 Bi24 I6'
_cell_volume   1148.38690764
_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  0.51529800  0.48470200  0.85369800  1.0
  Ni  Ni1  1  0.48470200  0.51529800  0.14630200  1.0
  Ni  Ni2  1  0.48470200  0.51529800  0.35369800  1.0
  Ni  Ni3  1  0.51529800  0.48470200  0.64630200  1.0
  Ni  Ni4  1  0.93728400  0.06271600  0.87920500  1.0
  Ni  Ni5  1  0.06271600  0.93728400  0.12079500  1.0
  Ni  Ni6  1  0.06271600  0.93728400  0.37920500  1.0
  Ni  Ni7  1  0.93728400  0.06271600  0.62079500  1.0
  Bi  Bi8  1  0.98421900  0.01578100  0.80236800  1.0
  Bi  Bi9  1  0.01578100  0.98421900  0.19763200  1.0
  Bi  Bi10  1  0.01578100  0.98421900  0.30236800  1.0
  Bi  Bi11  1  0.98421900  0.01578100  0.69763200  1.0
  Bi  Bi12  1  0.33917500  0.66082500  0.85307200  1.0
  Bi  Bi13  1  0.66082500  0.33917500  0.14692800  1.0
  Bi  Bi14  1  0.66082500  0.33917500  0.35307200  1.0
  Bi  Bi15  1  0.33917500  0.66082500  0.64692800  1.0
  Bi  Bi16  1  0.11178800  0.88821200  0.88025200  1.0
  Bi  Bi17  1  0.88821200  0.11178800  0.11974800  1.0
  Bi  Bi18  1  0.88821200  0.11178800  0.38025200  1.0
  Bi  Bi19  1  0.11178800  0.88821200  0.61974800  1.0
  Bi  Bi20  1  0.46782100  0.53217900  0.93097500  1.0
  Bi  Bi21  1  0.53217900  0.46782100  0.06902500  1.0
  Bi  Bi22  1  0.53217900  0.46782100  0.43097500  1.0
  Bi  Bi23  1  0.46782100  0.53217900  0.56902500  1.0
  Bi  Bi24  1  0.64327300  0.35672700  0.80245400  1.0
  Bi  Bi25  1  0.35672700  0.64327300  0.19754600  1.0
  Bi  Bi26  1  0.35672700  0.64327300  0.30245400  1.0
  Bi  Bi27  1  0.64327300  0.35672700  0.69754600  1.0
  Bi  Bi28  1  0.80669200  0.19330800  0.92775800  1.0
  Bi  Bi29  1  0.19330800  0.80669200  0.07224200  1.0
  Bi  Bi30  1  0.19330800  0.80669200  0.42775800  1.0
  Bi  Bi31  1  0.80669200  0.19330800  0.57224200  1.0
  I  I32  1  0.13046200  0.86953800  0.97643700  1.0
  I  I33  1  0.86953800  0.13046200  0.02356300  1.0
  I  I34  1  0.86953800  0.13046200  0.47643700  1.0
  I  I35  1  0.13046200  0.86953800  0.52356300  1.0
  I  I36  1  0.32039800  0.67960200  0.75000000  1.0
  I  I37  1  0.67960200  0.32039800  0.25000000  1.0