# generated using pymatgen
data_Si12Ni31
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59607157
_cell_length_b   6.59606997
_cell_length_c   12.15158387
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999291
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si12Ni31
_chemical_formula_sum   'Si12 Ni31'
_cell_volume   457.86154018
_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  0.64911263  0.64911263  0.50000000  1.0
  Si  Si1  1  0.00000000  0.35088737  0.50000000  1.0
  Si  Si2  1  0.35088737  -0.00000000  0.50000000  1.0
  Si  Si3  1  0.31809851  0.31809851  -0.00000000  1.0
  Si  Si4  1  -0.00000000  0.68190149  -0.00000000  1.0
  Si  Si5  1  0.68190149  0.00000000  -0.00000000  1.0
  Si  Si6  1  0.66666700  0.33333300  0.22657445  1.0
  Si  Si7  1  0.33333300  0.66666700  0.77342555  1.0
  Si  Si8  1  0.66666700  0.33333300  0.72464340  1.0
  Si  Si9  1  0.33333300  0.66666700  0.27535660  1.0
  Si  Si10  1  0.00000000  0.00000000  0.70683643  1.0
  Si  Si11  1  0.00000000  0.00000000  0.29316357  1.0
  Ni  Ni12  1  0.07818898  0.41154190  0.90459940  1.0
  Ni  Ni13  1  0.66536328  0.96344903  0.19766915  1.0
  Ni  Ni14  1  0.03655097  0.70191525  0.19766915  1.0
  Ni  Ni15  1  0.29808475  0.33463672  0.19766915  1.0
  Ni  Ni16  1  0.70191525  0.03655097  0.80233085  1.0
  Ni  Ni17  1  0.33463672  0.29808475  0.80233085  1.0
  Ni  Ni18  1  0.96344903  0.66536328  0.80233085  1.0
  Ni  Ni19  1  0.35775290  0.03318059  0.30514172  1.0
  Ni  Ni20  1  0.96681941  0.32457330  0.30514172  1.0
  Ni  Ni21  1  0.67542670  0.64224710  0.30514172  1.0
  Ni  Ni22  1  0.32457330  0.96681941  0.69485828  1.0
  Ni  Ni23  1  0.64224710  0.67542670  0.69485828  1.0
  Ni  Ni24  1  0.03318059  0.35775290  0.69485828  1.0
  Ni  Ni25  1  0.63310656  0.94070578  0.40355269  1.0
  Ni  Ni26  1  0.05929422  0.69240078  0.40355269  1.0
  Ni  Ni27  1  0.30759922  0.36689344  0.40355269  1.0
  Ni  Ni28  1  0.69240078  0.05929422  0.59644731  1.0
  Ni  Ni29  1  0.36689344  0.30759922  0.59644731  1.0
  Ni  Ni30  1  0.94070578  0.63310656  0.59644731  1.0
  Ni  Ni31  1  0.58845810  0.66664808  0.90459940  1.0
  Ni  Ni32  1  0.33335192  0.92181102  0.90459940  1.0
  Ni  Ni33  1  0.66664808  0.58845810  0.09540060  1.0
  Ni  Ni34  1  0.92181102  0.33335192  0.09540060  1.0
  Ni  Ni35  1  0.41154190  0.07818898  0.09540060  1.0
  Ni  Ni36  1  0.66666700  0.33333300  0.43331865  1.0
  Ni  Ni37  1  0.33333300  0.66666700  0.56668135  1.0
  Ni  Ni38  1  0.66666700  0.33333300  0.92741400  1.0
  Ni  Ni39  1  0.33333300  0.66666700  0.07258600  1.0
  Ni  Ni40  1  0.00000000  0.00000000  0.90273805  1.0
  Ni  Ni41  1  0.00000000  0.00000000  0.09726195  1.0
  Ni  Ni42  1  0.00000000  0.00000000  0.50000000  1.0