# generated using pymatgen
data_ScNi21B6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.40762708
_cell_length_b   7.40762589
_cell_length_c   7.40762568
_cell_angle_alpha   59.99999661
_cell_angle_beta   60.00000192
_cell_angle_gamma   59.99999346
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi21B6Sb
_chemical_formula_sum   'Sc1 Ni21 B6 Sb1'
_cell_volume   287.42342218
_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  0.25000000  0.25000000  0.25000000  1.0
  Ni  Ni1  1  0.00176155  0.00176155  0.66095740  1.0
  Ni  Ni2  1  0.61728988  0.61728988  0.14813035  1.0
  Ni  Ni3  1  0.38735677  0.83792970  0.38735677  1.0
  Ni  Ni4  1  0.66095740  0.33551849  0.00176155  1.0
  Ni  Ni5  1  0.00176155  0.33551849  0.66095740  1.0
  Ni  Ni6  1  0.66095740  0.00176155  0.00176155  1.0
  Ni  Ni7  1  0.00176155  0.00176155  0.33551849  1.0
  Ni  Ni8  1  0.00176155  0.33551849  0.00176155  1.0
  Ni  Ni9  1  0.33551849  0.00176155  0.66095740  1.0
  Ni  Ni10  1  0.66095740  0.00176155  0.33551849  1.0
  Ni  Ni11  1  0.33551849  0.00176155  0.00176155  1.0
  Ni  Ni12  1  0.00176155  0.66095740  0.00176155  1.0
  Ni  Ni13  1  0.38735677  0.38735677  0.83792970  1.0
  Ni  Ni14  1  0.00176155  0.66095740  0.33551849  1.0
  Ni  Ni15  1  0.33551849  0.66095740  0.00176155  1.0
  Ni  Ni16  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni17  1  0.61728988  0.14813035  0.61728988  1.0
  Ni  Ni18  1  0.14813035  0.61728988  0.61728988  1.0
  Ni  Ni19  1  0.38735677  0.38735677  0.38735677  1.0
  Ni  Ni20  1  0.83792970  0.38735677  0.38735677  1.0
  Ni  Ni21  1  0.61728988  0.61728988  0.61728988  1.0
  B  B22  1  0.72892645  0.72892645  0.27107355  1.0
  B  B23  1  0.72892645  0.27107355  0.72892645  1.0
  B  B24  1  0.27107355  0.72892645  0.27107355  1.0
  B  B25  1  0.72892645  0.27107355  0.27107355  1.0
  B  B26  1  0.27107355  0.72892645  0.72892645  1.0
  B  B27  1  0.27107355  0.27107355  0.72892645  1.0
  Sb  Sb28  1  0.75000000  0.75000000  0.75000000  1.0