# generated using pymatgen
data_Sc12Al2TcNi3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.78812966
_cell_length_b   7.78813064
_cell_length_c   7.78813105
_cell_angle_alpha   112.17598932
_cell_angle_beta   110.73716014
_cell_angle_gamma   105.57299415
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc12Al2TcNi3
_chemical_formula_sum   'Sc12 Al2 Tc1 Ni3'
_cell_volume   362.33225291
_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  0.04939956  0.74634297  0.30305759  1.0
  Sc  Sc1  1  0.96655286  0.26431436  0.70223850  1.0
  Sc  Sc2  1  0.55671461  0.25365703  0.30305759  1.0
  Sc  Sc3  1  0.43792415  0.73568564  0.70223850  1.0
  Sc  Sc4  1  0.67856906  0.87250824  0.19898336  1.0
  Sc  Sc5  1  0.32647613  0.52041431  0.19898336  1.0
  Sc  Sc6  1  0.32647613  0.12749176  0.80606182  1.0
  Sc  Sc7  1  0.67856906  0.47958569  0.80606182  1.0
  Sc  Sc8  1  0.18160065  0.21847303  0.40007368  1.0
  Sc  Sc9  1  0.81257983  0.21998598  0.03256682  1.0
  Sc  Sc10  1  0.18160065  0.78152697  0.96312863  1.0
  Sc  Sc11  1  0.81257983  0.78001402  0.59259185  1.0
  Al  Al12  1  0.99258694  0.50000000  0.49258694  1.0
  Al  Al13  1  0.50369143  0.00000000  0.50369143  1.0
  Tc  Tc14  1  0.66277189  0.50000000  0.16277189  1.0
  Ni  Ni15  1  0.33416025  0.50000000  0.83416025  1.0
  Ni  Ni16  1  0.87691845  0.87804497  0.99887148  1.0
  Ni  Ni17  1  0.12082652  0.12195503  0.99887148  1.0