# generated using pymatgen
data_ScSi3Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.86338171
_cell_length_b   20.75345967
_cell_length_c   3.82000589
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScSi3Ni
_chemical_formula_sum   'Sc4 Si12 Ni4'
_cell_volume   306.28248171
_cell_formula_units_Z   4
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
  Sc  Sc0  1  0.00000000  0.83038400  0.00000000  1
  Sc  Sc1  1  0.50000000  0.66961600  0.00000000  1
  Sc  Sc2  1  0.50000000  0.33038400  0.00000000  1
  Sc  Sc3  1  0.00000000  0.16961600  0.00000000  1
  Si  Si4  1  0.50000000  0.78171200  0.50000000  1
  Si  Si5  1  0.00000000  0.55707800  0.00000000  1
  Si  Si6  1  0.00000000  0.71828800  0.50000000  1
  Si  Si7  1  0.50000000  0.94292200  0.00000000  1
  Si  Si8  1  0.50000000  0.55742000  0.50000000  1
  Si  Si9  1  0.00000000  0.94258000  0.50000000  1
  Si  Si10  1  0.00000000  0.28171200  0.50000000  1
  Si  Si11  1  0.50000000  0.05707800  0.00000000  1
  Si  Si12  1  0.50000000  0.21828800  0.50000000  1
  Si  Si13  1  0.00000000  0.44292200  0.00000000  1
  Si  Si14  1  0.00000000  0.05742000  0.50000000  1
  Si  Si15  1  0.50000000  0.44258000  0.50000000  1
  Ni  Ni16  1  0.50000000  0.88783900  0.50000000  1
  Ni  Ni17  1  0.00000000  0.61216100  0.50000000  1
  Ni  Ni18  1  0.00000000  0.38783900  0.50000000  1
  Ni  Ni19  1  0.50000000  0.11216100  0.50000000  1
