# generated using pymatgen
data_Sc3(Ga4Fe5)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.99827010
_cell_length_b   5.01348624
_cell_length_c   18.95016761
_cell_angle_alpha   90.00000000
_cell_angle_beta   107.55179060
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3(Ga4Fe5)4
_chemical_formula_sum   'Sc6 Ga32 Fe40'
_cell_volume   1086.84358954
_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  0.16565600  0.50000000  0.33648500  1
  Sc  Sc1  1  0.66565600  0.00000000  0.33648500  1
  Sc  Sc2  1  0.33074100  0.00000000  0.66551900  1
  Sc  Sc3  1  0.83074100  0.50000000  0.66551900  1
  Sc  Sc4  1  0.49894800  0.50000000  0.99576600  1
  Sc  Sc5  1  0.99894800  0.00000000  0.99576600  1
  Ga  Ga6  1  0.04989600  0.00000000  0.27480000  1
  Ga  Ga7  1  0.54989600  0.50000000  0.27480000  1
  Ga  Ga8  1  0.06076700  0.50000000  0.44746300  1
  Ga  Ga9  1  0.56076700  0.00000000  0.44746300  1
  Ga  Ga10  1  0.06372600  0.50000000  0.78162800  1
  Ga  Ga11  1  0.56372600  0.00000000  0.78162800  1
  Ga  Ga12  1  0.10957600  0.00000000  0.55536900  1
  Ga  Ga13  1  0.60957600  0.50000000  0.55536900  1
  Ga  Ga14  1  0.11606200  0.50000000  0.05806700  1
  Ga  Ga15  1  0.61606200  0.00000000  0.05806700  1
  Ga  Ga16  1  0.11746300  0.00000000  0.89090400  1
  Ga  Ga17  1  0.61746300  0.50000000  0.89090400  1
  Ga  Ga18  1  0.22702500  0.00000000  0.11417200  1
  Ga  Ga19  1  0.72702500  0.50000000  0.11417200  1
  Ga  Ga20  1  0.22870500  0.00000000  0.78047000  1
  Ga  Ga21  1  0.72870500  0.50000000  0.78047000  1
  Ga  Ga22  1  0.27498800  0.50000000  0.22749500  1
  Ga  Ga23  1  0.77498800  0.00000000  0.22749500  1
  Ga  Ga24  1  0.27620400  0.50000000  0.88807600  1
  Ga  Ga25  1  0.77620400  0.00000000  0.88807600  1
  Ga  Ga26  1  0.28500600  0.00000000  0.39276400  1
  Ga  Ga27  1  0.78500600  0.50000000  0.39276400  1
  Ga  Ga28  1  0.39413700  0.50000000  0.10782900  1
  Ga  Ga29  1  0.89413700  0.00000000  0.10782900  1
  Ga  Ga30  1  0.39735300  0.50000000  0.44840200  1
  Ga  Ga31  1  0.89735300  0.00000000  0.44840200  1
  Ga  Ga32  1  0.43996400  0.00000000  0.21976600  1
  Ga  Ga33  1  0.93996400  0.50000000  0.21976600  1
  Ga  Ga34  1  0.45062200  0.00000000  0.55918400  1
  Ga  Ga35  1  0.95062200  0.50000000  0.55918400  1
  Ga  Ga36  1  0.45089000  0.50000000  0.72520100  1
  Ga  Ga37  1  0.95089000  0.00000000  0.72520100  1
  Fe  Fe38  1  0.08392100  0.25058600  0.16671900  1
  Fe  Fe39  1  0.08392100  0.74941400  0.16671900  1
  Fe  Fe40  1  0.58392100  0.75058600  0.16671900  1
  Fe  Fe41  1  0.58392100  0.24941400  0.16671900  1
  Fe  Fe42  1  0.08764600  0.24845000  0.66931100  1
  Fe  Fe43  1  0.08764600  0.75155000  0.66931100  1
  Fe  Fe44  1  0.58764600  0.74845000  0.66931100  1
  Fe  Fe45  1  0.58764600  0.25155000  0.66931100  1
  Fe  Fe46  1  0.25192700  0.24891900  0.00120700  1
  Fe  Fe47  1  0.25192700  0.75108100  0.00120700  1
  Fe  Fe48  1  0.75192700  0.74891900  0.00120700  1
  Fe  Fe49  1  0.75192700  0.25108100  0.00120700  1
  Fe  Fe50  1  0.25449100  0.24965800  0.50224400  1
  Fe  Fe51  1  0.25449100  0.75034200  0.50224400  1
  Fe  Fe52  1  0.75449100  0.74965800  0.50224400  1
  Fe  Fe53  1  0.75449100  0.25034200  0.50224400  1
  Fe  Fe54  1  0.41896600  0.24826400  0.33483100  1
  Fe  Fe55  1  0.41896600  0.75173600  0.33483100  1
  Fe  Fe56  1  0.91896600  0.74826400  0.33483100  1
  Fe  Fe57  1  0.91896600  0.25173600  0.33483100  1
  Fe  Fe58  1  0.42111400  0.25174400  0.83457400  1
  Fe  Fe59  1  0.42111400  0.74825600  0.83457400  1
  Fe  Fe60  1  0.92111400  0.75174400  0.83457400  1
  Fe  Fe61  1  0.92111400  0.24825600  0.83457400  1
  Fe  Fe62  1  0.07764000  0.50000000  0.92007500  1
  Fe  Fe63  1  0.57764000  0.00000000  0.92007500  1
  Fe  Fe64  1  0.08718400  0.00000000  0.41475700  1
  Fe  Fe65  1  0.58718400  0.50000000  0.41475700  1
  Fe  Fe66  1  0.18074700  0.50000000  0.59058400  1
  Fe  Fe67  1  0.68074700  0.00000000  0.59058400  1
  Fe  Fe68  1  0.24942100  0.00000000  0.25247100  1
  Fe  Fe69  1  0.74942100  0.50000000  0.25247100  1
  Fe  Fe70  1  0.25339600  0.50000000  0.74540600  1
  Fe  Fe71  1  0.75339600  0.00000000  0.74540600  1
  Fe  Fe72  1  0.34788900  0.00000000  0.92279200  1
  Fe  Fe73  1  0.84788900  0.50000000  0.92279200  1
  Fe  Fe74  1  0.41133300  0.50000000  0.58712100  1
  Fe  Fe75  1  0.91133300  0.00000000  0.58712100  1
  Fe  Fe76  1  0.41853000  0.00000000  0.07966100  1
  Fe  Fe77  1  0.91853000  0.50000000  0.07966100  1
