# generated using pymatgen
data_Sc6AlTcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.84721870
_cell_length_b   7.84721895
_cell_length_c   7.84721943
_cell_angle_alpha   113.69484650
_cell_angle_beta   111.03277462
_cell_angle_gamma   103.84125894
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc6AlTcNi
_chemical_formula_sum   'Sc12 Al2 Tc2 Ni2'
_cell_volume   369.10500168
_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  0.04984844  0.74535227  0.30449617  1.0
  Sc  Sc1  1  0.95015156  0.25464773  0.69550383  1.0
  Sc  Sc2  1  0.55914490  0.25464773  0.30449617  1.0
  Sc  Sc3  1  0.44085510  0.74535227  0.69550383  1.0
  Sc  Sc4  1  0.66858813  0.85456256  0.18597343  1.0
  Sc  Sc5  1  0.33141187  0.51738530  0.18597343  1.0
  Sc  Sc6  1  0.33141187  0.14543744  0.81402657  1.0
  Sc  Sc7  1  0.66858813  0.48261470  0.81402657  1.0
  Sc  Sc8  1  0.18292458  0.21316004  0.39608562  1.0
  Sc  Sc9  1  0.81707542  0.21316004  0.03023546  1.0
  Sc  Sc10  1  0.18292458  0.78683996  0.96976454  1.0
  Sc  Sc11  1  0.81707542  0.78683996  0.60391438  1.0
  Al  Al12  1  0.00000000  0.50000000  0.50000000  1.0
  Al  Al13  1  0.50000000  0.00000000  0.50000000  1.0
  Tc  Tc14  1  0.68348613  0.50000000  0.18348613  1.0
  Tc  Tc15  1  0.31651387  0.50000000  0.81651387  1.0
  Ni  Ni16  1  0.87756646  0.87756646  1.00000000  1.0
  Ni  Ni17  1  0.12243354  0.12243354  0.00000000  1.0