# generated using pymatgen
data_Sc20CdGa5Ni2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.98499854
_cell_length_b   9.04966045
_cell_length_c   8.56743716
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.23833864
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc20CdGa5Ni2
_chemical_formula_sum   'Sc20 Cd1 Ga5 Ni2'
_cell_volume   601.84382569
_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  0.00207400  0.00103750  0.47467335  1.0
  Sc  Sc1  1  0.00207400  0.00103750  0.02532665  1.0
  Sc  Sc2  1  0.54274032  0.45632542  0.25000000  1.0
  Sc  Sc3  1  0.54274032  0.08641291  0.25000000  1.0
  Sc  Sc4  1  0.91579934  0.45789917  0.25000000  1.0
  Sc  Sc5  1  0.45469286  0.53953144  0.75000000  1.0
  Sc  Sc6  1  0.45469286  0.91516242  0.75000000  1.0
  Sc  Sc7  1  0.08667033  0.54333516  0.75000000  1.0
  Sc  Sc8  1  0.20722126  0.79263973  0.43846751  1.0
  Sc  Sc9  1  0.20722126  0.41458252  0.43846751  1.0
  Sc  Sc10  1  0.58174258  0.79087179  0.43399664  1.0
  Sc  Sc11  1  0.79296246  0.20953958  0.55966076  1.0
  Sc  Sc12  1  0.79296246  0.58342187  0.55966076  1.0
  Sc  Sc13  1  0.41460643  0.20730271  0.56181273  1.0
  Sc  Sc14  1  0.79296246  0.20953958  0.94033924  1.0
  Sc  Sc15  1  0.79296246  0.58342187  0.94033924  1.0
  Sc  Sc16  1  0.41460643  0.20730271  0.93818727  1.0
  Sc  Sc17  1  0.20722126  0.79263973  0.06153249  1.0
  Sc  Sc18  1  0.20722126  0.41458252  0.06153249  1.0
  Sc  Sc19  1  0.58174258  0.79087179  0.06600336  1.0
  Cd  Cd20  1  0.77742085  0.88870943  0.75000000  1.0
  Ga  Ga21  1  0.86972716  0.13207110  0.25000000  1.0
  Ga  Ga22  1  0.86972716  0.73765706  0.25000000  1.0
  Ga  Ga23  1  0.26258915  0.13129507  0.25000000  1.0
  Ga  Ga24  1  0.11518947  0.87869340  0.75000000  1.0
  Ga  Ga25  1  0.11518947  0.23649507  0.75000000  1.0
  Ni  Ni26  1  0.32815327  0.66407714  0.25000000  1.0
  Ni  Ni27  1  0.66708857  0.33354379  0.75000000  1.0