# generated using pymatgen
data_Si12Ni31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.65166479
_cell_length_b   6.65166479
_cell_length_c   12.28560124
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si12Ni31
_chemical_formula_sum   'Si12 Ni31'
_cell_volume   470.74721194
_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
  Si  Si0  1  0.64899400  0.64899400  0.50000000  1
  Si  Si1  1  0.00000000  0.35100600  0.50000000  1
  Si  Si2  1  0.35100600  0.00000000  0.50000000  1
  Si  Si3  1  0.31872500  0.31872500  0.00000000  1
  Si  Si4  1  0.00000000  0.68127500  0.00000000  1
  Si  Si5  1  0.68127500  0.00000000  0.00000000  1
  Si  Si6  1  0.66666700  0.33333300  0.22646800  1
  Si  Si7  1  0.33333300  0.66666700  0.77353200  1
  Si  Si8  1  0.66666700  0.33333300  0.72457500  1
  Si  Si9  1  0.33333300  0.66666700  0.27542500  1
  Si  Si10  1  0.00000000  0.00000000  0.70794600  1
  Si  Si11  1  0.00000000  0.00000000  0.29205400  1
  Ni  Ni12  1  0.07931800  0.41241200  0.90462000  1
  Ni  Ni13  1  0.66489800  0.96240100  0.19764100  1
  Ni  Ni14  1  0.03759900  0.70249700  0.19764100  1
  Ni  Ni15  1  0.29750300  0.33510200  0.19764100  1
  Ni  Ni16  1  0.70249700  0.03759900  0.80235900  1
  Ni  Ni17  1  0.33510200  0.29750300  0.80235900  1
  Ni  Ni18  1  0.96240100  0.66489800  0.80235900  1
  Ni  Ni19  1  0.35741900  0.03469700  0.30523500  1
  Ni  Ni20  1  0.96530300  0.32272200  0.30523500  1
  Ni  Ni21  1  0.67727800  0.64258100  0.30523500  1
  Ni  Ni22  1  0.32272200  0.96530300  0.69476500  1
  Ni  Ni23  1  0.64258100  0.67727800  0.69476500  1
  Ni  Ni24  1  0.03469700  0.35741900  0.69476500  1
  Ni  Ni25  1  0.62922300  0.93733200  0.40380700  1
  Ni  Ni26  1  0.06266800  0.69189100  0.40380700  1
  Ni  Ni27  1  0.30810900  0.37077700  0.40380700  1
  Ni  Ni28  1  0.69189100  0.06266800  0.59619300  1
  Ni  Ni29  1  0.37077700  0.30810900  0.59619300  1
  Ni  Ni30  1  0.93733200  0.62922300  0.59619300  1
  Ni  Ni31  1  0.58758800  0.66690600  0.90462000  1
  Ni  Ni32  1  0.33309400  0.92068200  0.90462000  1
  Ni  Ni33  1  0.66690600  0.58758800  0.09538000  1
  Ni  Ni34  1  0.92068200  0.33309400  0.09538000  1
  Ni  Ni35  1  0.41241200  0.07931800  0.09538000  1
  Ni  Ni36  1  0.66666700  0.33333300  0.43285000  1
  Ni  Ni37  1  0.33333300  0.66666700  0.56715000  1
  Ni  Ni38  1  0.66666700  0.33333300  0.92704700  1
  Ni  Ni39  1  0.33333300  0.66666700  0.07295300  1
  Ni  Ni40  1  0.00000000  0.00000000  0.90303500  1
  Ni  Ni41  1  0.00000000  0.00000000  0.09696500  1
  Ni  Ni42  1  0.00000000  0.00000000  0.50000000  1
