# generated using pymatgen
data_Sc2Ti3(ReTc)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32886854
_cell_length_b   8.32947155
_cell_length_c   8.32947117
_cell_angle_alpha   109.47268760
_cell_angle_beta   109.46975752
_cell_angle_gamma   109.46975509
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2Ti3(ReTc)12
_chemical_formula_sum   'Sc2 Ti3 Re12 Tc12'
_cell_volume   444.84306946
_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  0.00050203  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.62905183  1.00000000  1.00000000  1.0
  Ti  Ti2  1  0.00035509  0.62846599  0.00000000  1.0
  Ti  Ti3  1  0.00035509  1.00000000  0.62846599  1.0
  Ti  Ti4  1  0.37188909  0.37153401  0.37153401  1.0
  Re  Re5  1  0.37705675  0.19348471  0.00000000  1.0
  Re  Re6  1  0.18357204  0.80651529  0.80651529  1.0
  Re  Re7  1  0.37705675  0.00000000  0.19348471  1.0
  Re  Re8  1  0.19464628  0.37684939  0.00000000  1.0
  Re  Re9  1  0.00187464  0.37895414  0.19399925  1.0
  Re  Re10  1  0.80787439  0.18495489  0.80600075  1.0
  Re  Re11  1  0.80787439  0.80600075  0.18495489  1.0
  Re  Re12  1  0.00187464  0.19399925  0.37895414  1.0
  Re  Re13  1  0.19464628  0.00000000  0.37684939  1.0
  Re  Re14  1  0.62292050  0.62104586  0.81504511  1.0
  Re  Re15  1  0.81779589  0.62315061  0.62315061  1.0
  Re  Re16  1  0.62292050  0.81504511  0.62104586  1.0
  Tc  Tc17  1  0.39738494  0.67528247  1.00000000  1.0
  Tc  Tc18  1  0.72210348  0.32471753  0.32471753  1.0
  Tc  Tc19  1  0.39738494  1.00000000  0.67528247  1.0
  Tc  Tc20  1  0.68146678  0.40089569  1.00000000  1.0
  Tc  Tc21  1  0.99867244  0.40153035  0.68081105  1.0
  Tc  Tc22  1  0.31786138  0.72071829  0.31918895  1.0
  Tc  Tc23  1  0.31786138  0.31918895  0.72071829  1.0
  Tc  Tc24  1  0.99867244  0.68081105  0.40153035  1.0
  Tc  Tc25  1  0.68146678  1.00000000  0.40089569  1.0
  Tc  Tc26  1  0.59714309  0.59846965  0.27928171  1.0
  Tc  Tc27  1  0.28057109  0.59910431  0.59910431  1.0
  Tc  Tc28  1  0.59714309  0.27928171  0.59846965  1.0