# generated using pymatgen
data_ScNb2(Ni10B3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44625335
_cell_length_b   7.44625334
_cell_length_c   7.44625386
_cell_angle_alpha   60.00000205
_cell_angle_beta   60.00000208
_cell_angle_gamma   60.00000135
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNb2(Ni10B3)2
_chemical_formula_sum   'Sc1 Nb2 Ni20 B6'
_cell_volume   291.94327471
_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
  Nb  Nb1  1  0.75000000  0.75000000  0.75000000  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni3  1  0.38691966  0.38691966  0.38691966  1.0
  Ni  Ni4  1  0.61636464  0.61636464  0.61636464  1.0
  Ni  Ni5  1  0.38691966  0.38691966  0.83924003  1.0
  Ni  Ni6  1  0.38691966  0.83924003  0.38691966  1.0
  Ni  Ni7  1  0.61636464  0.61636464  0.15090607  1.0
  Ni  Ni8  1  0.61636464  0.15090607  0.61636464  1.0
  Ni  Ni9  1  0.83924003  0.38691966  0.38691966  1.0
  Ni  Ni10  1  0.15090607  0.61636464  0.61636464  1.0
  Ni  Ni11  1  0.34477307  0.99867076  0.99867076  1.0
  Ni  Ni12  1  0.65788441  0.99867076  0.99867076  1.0
  Ni  Ni13  1  0.99867076  0.34477307  0.65788441  1.0
  Ni  Ni14  1  0.99867076  0.65788441  0.34477307  1.0
  Ni  Ni15  1  0.99867076  0.34477307  0.99867076  1.0
  Ni  Ni16  1  0.65788441  0.99867076  0.34477307  1.0
  Ni  Ni17  1  0.99867076  0.65788441  0.99867076  1.0
  Ni  Ni18  1  0.34477307  0.99867076  0.65788441  1.0
  Ni  Ni19  1  0.99867076  0.99867076  0.34477307  1.0
  Ni  Ni20  1  0.99867076  0.99867076  0.65788441  1.0
  Ni  Ni21  1  0.65788441  0.34477307  0.99867076  1.0
  Ni  Ni22  1  0.34477307  0.65788441  0.99867076  1.0
  B  B23  1  0.73184190  0.26815810  0.26815810  1.0
  B  B24  1  0.26815810  0.73184190  0.73184190  1.0
  B  B25  1  0.26815810  0.73184190  0.26815810  1.0
  B  B26  1  0.73184190  0.26815810  0.73184190  1.0
  B  B27  1  0.26815810  0.26815810  0.73184190  1.0
  B  B28  1  0.73184190  0.73184190  0.26815810  1.0