# generated using pymatgen
data_Sc2(Ni7B2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.40091747
_cell_length_b   7.40091815
_cell_length_c   7.40086592
_cell_angle_alpha   60.00459286
_cell_angle_beta   60.00435797
_cell_angle_gamma   60.00395994
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2(Ni7B2)3
_chemical_formula_sum   'Sc2 Ni21 B6'
_cell_volume   286.66922536
_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  0.74999998  0.75001152  0.74999695  1.0
  Sc  Sc1  1  0.25000059  0.24998765  0.25000395  1.0
  Ni  Ni2  1  0.99999895  0.00000174  0.99999832  1.0
  Ni  Ni3  1  0.61457086  0.61457466  0.15629894  1.0
  Ni  Ni4  1  0.61455152  0.15630840  0.61457029  1.0
  Ni  Ni5  1  0.15630795  0.61455622  0.61457165  1.0
  Ni  Ni6  1  0.61456469  0.61457385  0.61455604  1.0
  Ni  Ni7  1  0.38543106  0.38542510  0.84369802  1.0
  Ni  Ni8  1  0.38544960  0.84368982  0.38543102  1.0
  Ni  Ni9  1  0.84368970  0.38544376  0.38543066  1.0
  Ni  Ni10  1  0.38543668  0.38542516  0.38544612  1.0
  Ni  Ni11  1  0.99999693  -0.00000116  0.33811264  1.0
  Ni  Ni12  1  0.66188623  0.00000211  0.33810887  1.0
  Ni  Ni13  1  0.99999628  0.66190019  0.33810459  1.0
  Ni  Ni14  1  0.66189580  0.33809738  0.00000356  1.0
  Ni  Ni15  1  -0.00000019  0.33809837  -0.00000157  1.0
  Ni  Ni16  1  0.00000315  0.33809659  0.66189862  1.0
  Ni  Ni17  1  0.33810717  0.66190149  0.99999455  1.0
  Ni  Ni18  1  0.33811023  1.00000070  0.66189039  1.0
  Ni  Ni19  1  0.33810981  -0.00000190  0.99999459  1.0
  Ni  Ni20  1  0.00000319  0.00000335  0.66188836  1.0
  Ni  Ni21  1  0.99999888  0.66190145  0.99999918  1.0
  Ni  Ni22  1  0.66189081  0.00000344  0.00000435  1.0
  B  B23  1  0.72935540  0.72935788  0.27064489  1.0
  B  B24  1  0.27063906  0.72936056  0.27064048  1.0
  B  B25  1  0.72935973  0.27063728  0.27064124  1.0
  B  B26  1  0.27064528  0.27064214  0.72935477  1.0
  B  B27  1  0.72936047  0.27063970  0.72935932  1.0
  B  B28  1  0.27064020  0.72936256  0.72935921  1.0