# generated using pymatgen
data_Sc9Ni5Ge8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92279462
_cell_length_b   9.07353352
_cell_length_c   20.98712486
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc9Ni5Ge8
_chemical_formula_sum   'Sc18 Ni10 Ge16'
_cell_volume   747.00750532
_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
  Sc  Sc0  1  0.50000000  0.30536500  0.91471900  1
  Sc  Sc1  1  0.00000000  0.00000000  0.72766400  1
  Sc  Sc2  1  0.50000000  0.69463500  0.91471900  1
  Sc  Sc3  1  0.50000000  0.50000000  0.60758300  1
  Sc  Sc4  1  0.00000000  0.19463500  0.58528100  1
  Sc  Sc5  1  0.00000000  0.80536500  0.58528100  1
  Sc  Sc6  1  0.00000000  0.00000000  0.89241700  1
  Sc  Sc7  1  0.50000000  0.50000000  0.77233600  1
  Sc  Sc8  1  0.00000000  0.50000000  0.00000000  1
  Sc  Sc9  1  0.00000000  0.80536500  0.41471900  1
  Sc  Sc10  1  0.50000000  0.50000000  0.22766400  1
  Sc  Sc11  1  0.00000000  0.19463500  0.41471900  1
  Sc  Sc12  1  0.00000000  0.00000000  0.10758300  1
  Sc  Sc13  1  0.50000000  0.69463500  0.08528100  1
  Sc  Sc14  1  0.50000000  0.30536500  0.08528100  1
  Sc  Sc15  1  0.50000000  0.50000000  0.39241700  1
  Sc  Sc16  1  0.00000000  0.00000000  0.27233600  1
  Sc  Sc17  1  0.50000000  0.00000000  0.50000000  1
  Ni  Ni18  1  0.00000000  0.27491200  0.80438100  1
  Ni  Ni19  1  0.50000000  0.22508800  0.69561900  1
  Ni  Ni20  1  0.00000000  0.72508800  0.80438100  1
  Ni  Ni21  1  0.00000000  0.50000000  0.50000000  1
  Ni  Ni22  1  0.50000000  0.77491200  0.69561900  1
  Ni  Ni23  1  0.50000000  0.77491200  0.30438100  1
  Ni  Ni24  1  0.00000000  0.72508800  0.19561900  1
  Ni  Ni25  1  0.50000000  0.22508800  0.30438100  1
  Ni  Ni26  1  0.50000000  0.00000000  0.00000000  1
  Ni  Ni27  1  0.00000000  0.27491200  0.19561900  1
  Ge  Ge28  1  0.50000000  0.86217700  0.80862800  1
  Ge  Ge29  1  0.00000000  0.18727000  0.00000000  1
  Ge  Ge30  1  0.00000000  0.50000000  0.86637100  1
  Ge  Ge31  1  0.00000000  0.36217700  0.69137200  1
  Ge  Ge32  1  0.50000000  0.31273000  0.50000000  1
  Ge  Ge33  1  0.00000000  0.63782300  0.69137200  1
  Ge  Ge34  1  0.50000000  0.00000000  0.63362900  1
  Ge  Ge35  1  0.50000000  0.13782300  0.80862800  1
  Ge  Ge36  1  0.00000000  0.36217700  0.30862800  1
  Ge  Ge37  1  0.50000000  0.68727000  0.50000000  1
  Ge  Ge38  1  0.50000000  0.00000000  0.36637100  1
  Ge  Ge39  1  0.50000000  0.86217700  0.19137200  1
  Ge  Ge40  1  0.00000000  0.81273000  0.00000000  1
  Ge  Ge41  1  0.50000000  0.13782300  0.19137200  1
  Ge  Ge42  1  0.00000000  0.50000000  0.13362900  1
  Ge  Ge43  1  0.00000000  0.63782300  0.30862800  1
