# generated using pymatgen
data_Sc3(NiGe)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91871368
_cell_length_b   6.63581731
_cell_length_c   12.95649272
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3(NiGe)4
_chemical_formula_sum   'Sc6 Ni8 Ge8'
_cell_volume   336.91892735
_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  0.00000000  0.50000000  0.37352500  1
  Sc  Sc1  1  0.50000000  0.00000000  0.12647500  1
  Sc  Sc2  1  0.50000000  0.50000000  0.00000000  1
  Sc  Sc3  1  0.50000000  0.00000000  0.87352500  1
  Sc  Sc4  1  0.00000000  0.50000000  0.62647500  1
  Sc  Sc5  1  0.00000000  0.00000000  0.50000000  1
  Ni  Ni6  1  0.00000000  0.30349000  0.17734600  1
  Ni  Ni7  1  0.50000000  0.80349000  0.32265400  1
  Ni  Ni8  1  0.50000000  0.19651000  0.32265400  1
  Ni  Ni9  1  0.00000000  0.69651000  0.17734600  1
  Ni  Ni10  1  0.50000000  0.80349000  0.67734600  1
  Ni  Ni11  1  0.00000000  0.30349000  0.82265400  1
  Ni  Ni12  1  0.00000000  0.69651000  0.82265400  1
  Ni  Ni13  1  0.50000000  0.19651000  0.67734600  1
  Ge  Ge14  1  0.00000000  0.00000000  0.28119500  1
  Ge  Ge15  1  0.50000000  0.50000000  0.21880500  1
  Ge  Ge16  1  0.00000000  0.80426300  0.00000000  1
  Ge  Ge17  1  0.50000000  0.69573700  0.50000000  1
  Ge  Ge18  1  0.50000000  0.50000000  0.78119500  1
  Ge  Ge19  1  0.00000000  0.00000000  0.71880500  1
  Ge  Ge20  1  0.50000000  0.30426300  0.50000000  1
  Ge  Ge21  1  0.00000000  0.19573700  0.00000000  1
