# generated using pymatgen
data_Sc(TiFe3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83564041
_cell_length_b   4.83564041
_cell_length_c   23.75831278
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc(TiFe3)2
_chemical_formula_sum   'Sc4 Ti8 Fe24'
_cell_volume   481.12090053
_cell_formula_units_Z   4
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  0.00000000  0.81064700  1
  Sc  Sc1  1  0.00000000  0.00000000  0.47854500  1
  Sc  Sc2  1  0.00000000  0.00000000  0.14610700  1
  Sc  Sc3  1  0.66666700  0.33333300  0.85494300  1
  Ti  Ti4  1  0.66666700  0.33333300  0.52296100  1
  Ti  Ti5  1  0.66666700  0.33333300  0.18991700  1
  Ti  Ti6  1  0.66666700  0.33333300  0.98068000  1
  Ti  Ti7  1  0.66666700  0.33333300  0.64609200  1
  Ti  Ti8  1  0.66666700  0.33333300  0.31311500  1
  Ti  Ti9  1  0.00000000  0.00000000  0.68543700  1
  Ti  Ti10  1  0.00000000  0.00000000  0.35240200  1
  Ti  Ti11  1  0.00000000  0.00000000  0.02046400  1
  Fe  Fe12  1  0.33333300  0.66666700  0.83344500  1
  Fe  Fe13  1  0.33333300  0.66666700  0.50002800  1
  Fe  Fe14  1  0.33333300  0.66666700  0.16692400  1
  Fe  Fe15  1  0.33333300  0.66666700  0.00064700  1
  Fe  Fe16  1  0.33333300  0.66666700  0.66587600  1
  Fe  Fe17  1  0.33333300  0.66666700  0.33333300  1
  Fe  Fe18  1  0.99432600  0.49716300  0.74684900  1
  Fe  Fe19  1  0.99229400  0.49614700  0.41489800  1
  Fe  Fe20  1  0.99386300  0.49693200  0.08229400  1
  Fe  Fe21  1  0.50283700  0.49716300  0.74684900  1
  Fe  Fe22  1  0.50385300  0.49614700  0.41489800  1
  Fe  Fe23  1  0.50306800  0.49693200  0.08229400  1
  Fe  Fe24  1  0.50283700  0.00567400  0.74684900  1
  Fe  Fe25  1  0.50385300  0.00770600  0.41489800  1
  Fe  Fe26  1  0.50306800  0.00613700  0.08229400  1
  Fe  Fe27  1  0.67166200  0.83583100  0.91937800  1
  Fe  Fe28  1  0.67244700  0.83622400  0.58455400  1
  Fe  Fe29  1  0.67207800  0.83603900  0.25150900  1
  Fe  Fe30  1  0.16416900  0.83583100  0.91937800  1
  Fe  Fe31  1  0.16377600  0.83622400  0.58455400  1
  Fe  Fe32  1  0.16396100  0.83603900  0.25150900  1
  Fe  Fe33  1  0.16416900  0.32833800  0.91937800  1
  Fe  Fe34  1  0.16377600  0.32755300  0.58455400  1
  Fe  Fe35  1  0.16396100  0.32792200  0.25150900  1
