# generated using pymatgen
data_Sc4Si7Ni
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.66006902
_cell_length_b   3.84392877
_cell_length_c   13.97263557
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4Si7Ni
_chemical_formula_sum   'Sc4 Si7 Ni1'
_cell_volume   196.58163310
_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
  Sc  Sc0  1  0.00000000  0.00000000  0.10894200  1
  Sc  Sc1  1  0.00000000  0.50000000  0.59455900  1
  Sc  Sc2  1  0.50000000  0.50000000  0.41462100  1
  Sc  Sc3  1  0.50000000  0.00000000  0.89850000  1
  Si  Si4  1  0.00000000  0.50000000  0.26749100  1
  Si  Si5  1  0.00000000  0.00000000  0.74203900  1
  Si  Si6  1  0.50000000  0.00000000  0.26910600  1
  Si  Si7  1  0.50000000  0.50000000  0.75080500  1
  Si  Si8  1  0.00000000  0.50000000  0.94403900  1
  Si  Si9  1  0.50000000  0.50000000  0.05562500  1
  Si  Si10  1  0.50000000  0.00000000  0.54663500  1
  Ni  Ni11  1  0.00000000  0.00000000  0.40763900  1
