# generated using pymatgen
data_ScNi20(SnB3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.46784482
_cell_length_b   7.46781563
_cell_length_c   7.46740096
_cell_angle_alpha   60.00183683
_cell_angle_beta   60.00196612
_cell_angle_gamma   60.00589524
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScNi20(SnB3)2
_chemical_formula_sum   'Sc1 Ni20 Sn2 B6'
_cell_volume   294.49313366
_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  0.00000000  0.00000000  0.00000000  1.0
  Ni  Ni1  1  0.61442514  0.61433354  0.15697604  1.0
  Ni  Ni2  1  0.61452526  0.15680236  0.61433619  1.0
  Ni  Ni3  1  0.15660254  0.61453261  0.61443242  1.0
  Ni  Ni4  1  0.61442514  0.61433354  0.61426628  1.0
  Ni  Ni5  1  0.38557486  0.38566646  0.84302396  1.0
  Ni  Ni6  1  0.38547474  0.84319764  0.38566381  1.0
  Ni  Ni7  1  0.84339746  0.38546739  0.38556758  1.0
  Ni  Ni8  1  0.38557486  0.38566646  0.38573372  1.0
  Ni  Ni9  1  0.00000000  0.00000000  0.34136977  1.0
  Ni  Ni10  1  0.65883150  0.99985471  0.34146686  1.0
  Ni  Ni11  1  0.99997349  0.65864802  0.34140381  1.0
  Ni  Ni12  1  0.65876267  0.34145571  0.99989081  1.0
  Ni  Ni13  1  0.00002651  0.34135198  0.00002432  1.0
  Ni  Ni14  1  0.00002651  0.34135198  0.65859619  1.0
  Ni  Ni15  1  0.34123733  0.65854429  0.00010919  1.0
  Ni  Ni16  1  0.34116850  0.00014529  0.65853314  1.0
  Ni  Ni17  1  0.34116850  0.00014529  0.00015406  1.0
  Ni  Ni18  1  0.00000000  0.00000000  0.65863023  1.0
  Ni  Ni19  1  0.99997349  0.65864802  0.99997568  1.0
  Ni  Ni20  1  0.65883150  0.99985471  0.99984594  1.0
  Sn  Sn21  1  0.74982783  0.74998041  0.75009638  1.0
  Sn  Sn22  1  0.25017217  0.25001959  0.24990362  1.0
  B  B23  1  0.72987063  0.72990464  0.27011236  1.0
  B  B24  1  0.27010912  0.72989599  0.27010932  1.0
  B  B25  1  0.72989088  0.27010401  0.27011344  1.0
  B  B26  1  0.27012937  0.27009536  0.72988764  1.0
  B  B27  1  0.72989088  0.27010401  0.72989068  1.0
  B  B28  1  0.27010912  0.72989599  0.72988656  1.0