# generated using pymatgen
data_Sc3(Ga4Fe5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01348600
_cell_length_b   6.50179875
_cell_length_c   18.24321775
_cell_angle_alpha   93.86234432
_cell_angle_beta   82.10218078
_cell_angle_gamma   112.67764555
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3(Ga4Fe5)4
_chemical_formula_sum   'Sc3 Ga16 Fe20'
_cell_volume   543.42179794
_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  0.00105200  0.99787000  0.99576600  1.0
  Sc  Sc1  1  0.33434400  0.00517300  0.33648500  1.0
  Sc  Sc2  1  0.66926000  0.00403700  0.66551900  1.0
  Ga  Ga3  1  0.56003700  0.33983800  0.21976600  1.0
  Ga  Ga4  1  0.89042400  0.33621800  0.55536900  1.0
  Ga  Ga5  1  0.22379500  0.33566700  0.88807600  1.0
  Ga  Ga6  1  0.77297500  0.66012100  0.11417200  1.0
  Ga  Ga7  1  0.10264700  0.65369700  0.44840200  1.0
  Ga  Ga8  1  0.43627300  0.65417600  0.78162800  1.0
  Ga  Ga9  1  0.10586300  0.31955500  0.10782900  1.0
  Ga  Ga10  1  0.43923300  0.32592900  0.44746300  1.0
  Ga  Ga11  1  0.77129400  0.32306000  0.78047000  1.0
  Ga  Ga12  1  0.22501200  0.67751800  0.22749500  1.0
  Ga  Ga13  1  0.54937800  0.65793900  0.55918400  1.0
  Ga  Ga14  1  0.88253700  0.65597800  0.89090400  1.0
  Ga  Ga15  1  0.38393800  0.82594300  0.05806700  1.0
  Ga  Ga16  1  0.71499400  0.82275200  0.39276400  1.0
  Ga  Ga17  1  0.04911000  0.82342000  0.72520100  1.0
  Ga  Ga18  1  0.95010400  0.17500800  0.27480000  1.0
  Fe  Fe19  1  0.16666500  0.99887700  0.16671900  1.0
  Fe  Fe20  1  0.49585100  0.99326100  0.50224400  1.0
  Fe  Fe21  1  0.83063100  0.99234700  0.83457400  1.0
  Fe  Fe22  1  0.66549400  0.99887700  0.16671900  1.0
  Fe  Fe23  1  0.99516700  0.99326100  0.50224400  1.0
  Fe  Fe24  1  0.32714100  0.99234700  0.83457400  1.0
  Fe  Fe25  1  0.99699200  0.49735300  0.00120700  1.0
  Fe  Fe26  1  0.33277000  0.49689800  0.33483100  1.0
  Fe  Fe27  1  0.66390400  0.49402000  0.66931100  1.0
  Fe  Fe28  1  0.49915400  0.49735300  0.00120700  1.0
  Fe  Fe29  1  0.82929600  0.49689800  0.33483100  1.0
  Fe  Fe30  1  0.16080600  0.49402000  0.66931100  1.0
  Fe  Fe31  1  0.31925300  0.22909100  0.59058400  1.0
  Fe  Fe32  1  0.65211100  0.22701400  0.92279200  1.0
  Fe  Fe33  1  0.75057900  0.75362900  0.25247100  1.0
  Fe  Fe34  1  0.08866600  0.76445500  0.58712100  1.0
  Fe  Fe35  1  0.42236000  0.76479400  0.92007500  1.0
  Fe  Fe36  1  0.58146900  0.24260000  0.07966100  1.0
  Fe  Fe37  1  0.91281700  0.24038900  0.41475700  1.0
  Fe  Fe38  1  0.24660500  0.23861500  0.74540600  1.0