# generated using pymatgen
data_ScTa2(Ni10B3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.43727735
_cell_length_b   7.43727814
_cell_length_c   7.43727732
_cell_angle_alpha   59.99999930
_cell_angle_beta   59.99999578
_cell_angle_gamma   60.00000574
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScTa2(Ni10B3)2
_chemical_formula_sum   'Sc1 Ta2 Ni20 B6'
_cell_volume   290.88878776
_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  0.75000000  0.75000000  0.75000000  1.0
  Ta  Ta1  1  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta2  1  0.25000000  0.25000000  0.25000000  1.0
  Ni  Ni3  1  0.61316930  0.61316930  0.16049109  1.0
  Ni  Ni4  1  0.61316930  0.16049109  0.61316930  1.0
  Ni  Ni5  1  0.16049109  0.61316930  0.61316930  1.0
  Ni  Ni6  1  0.61316930  0.61316930  0.61316930  1.0
  Ni  Ni7  1  0.38340183  0.38340183  0.84979451  1.0
  Ni  Ni8  1  0.38340183  0.84979451  0.38340183  1.0
  Ni  Ni9  1  0.84979451  0.38340183  0.38340183  1.0
  Ni  Ni10  1  0.38340183  0.38340183  0.38340183  1.0
  Ni  Ni11  1  0.00168809  0.00168809  0.34140564  1.0
  Ni  Ni12  1  0.65521818  0.00168809  0.34140564  1.0
  Ni  Ni13  1  0.00168809  0.65521818  0.34140564  1.0
  Ni  Ni14  1  0.65521818  0.34140564  0.00168809  1.0
  Ni  Ni15  1  0.00168809  0.34140564  0.00168809  1.0
  Ni  Ni16  1  0.00168809  0.34140564  0.65521818  1.0
  Ni  Ni17  1  0.34140564  0.65521818  0.00168809  1.0
  Ni  Ni18  1  0.34140564  0.00168809  0.65521818  1.0
  Ni  Ni19  1  0.34140564  0.00168809  0.00168809  1.0
  Ni  Ni20  1  0.00168809  0.00168809  0.65521818  1.0
  Ni  Ni21  1  0.00168809  0.65521818  0.00168809  1.0
  Ni  Ni22  1  0.65521818  0.00168809  0.00168809  1.0
  B  B23  1  0.73175420  0.73175420  0.26824580  1.0
  B  B24  1  0.26824580  0.73175420  0.26824580  1.0
  B  B25  1  0.73175420  0.26824580  0.26824580  1.0
  B  B26  1  0.26824580  0.26824580  0.73175420  1.0
  B  B27  1  0.73175420  0.26824580  0.73175420  1.0
  B  B28  1  0.26824580  0.73175420  0.73175420  1.0