# generated using pymatgen
data_YTh(Ni2B)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.99192108
_cell_length_b   5.99192163
_cell_length_c   10.93659535
_cell_angle_alpha   90.08142062
_cell_angle_beta   90.08143167
_cell_angle_gamma   104.78717424
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTh(Ni2B)12
_chemical_formula_sum   'Y1 Th1 Ni24 B12'
_cell_volume   379.65226679
_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
  Y  Y0  1  0.16630199  0.16630199  0.99536289  1.0
  Th  Th1  1  0.83133990  0.83133990  0.49583042  1.0
  Ni  Ni2  1  0.56572086  0.56572086  0.91835804  1.0
  Ni  Ni3  1  0.43379345  0.43379345  0.41828860  1.0
  Ni  Ni4  1  0.77883281  0.77883281  0.09805725  1.0
  Ni  Ni5  1  0.22096670  0.22096670  0.59901650  1.0
  Ni  Ni6  1  0.54223501  0.80483580  0.73529906  1.0
  Ni  Ni7  1  0.80483580  0.54223501  0.73529906  1.0
  Ni  Ni8  1  0.45793646  0.19608834  0.23395163  1.0
  Ni  Ni9  1  0.19608834  0.45793646  0.23395163  1.0
  Ni  Ni10  1  0.14660545  0.88066770  0.75578015  1.0
  Ni  Ni11  1  0.88066770  0.14660545  0.75578015  1.0
  Ni  Ni12  1  0.85283538  0.12058185  0.25487533  1.0
  Ni  Ni13  1  0.12058185  0.85283538  0.25487533  1.0
  Ni  Ni14  1  0.65671786  0.27143851  0.56806302  1.0
  Ni  Ni15  1  0.27143851  0.65671786  0.56806302  1.0
  Ni  Ni16  1  0.34250781  0.72905484  0.06748243  1.0
  Ni  Ni17  1  0.72905484  0.34250781  0.06748243  1.0
  Ni  Ni18  1  0.63071177  0.99535226  0.93749348  1.0
  Ni  Ni19  1  0.99535226  0.63071177  0.93749348  1.0
  Ni  Ni20  1  0.36940599  0.00607564  0.43750843  1.0
  Ni  Ni21  1  0.00607564  0.36940599  0.43750843  1.0
  Ni  Ni22  1  0.47378584  0.21142991  0.77634180  1.0
  Ni  Ni23  1  0.21142991  0.47378584  0.77634180  1.0
  Ni  Ni24  1  0.52650175  0.78773804  0.27557431  1.0
  Ni  Ni25  1  0.78773804  0.52650175  0.27557431  1.0
  B  B26  1  0.83738194  0.83738194  0.83761275  1.0
  B  B27  1  0.16280285  0.16280285  0.33358454  1.0
  B  B28  1  0.48784319  0.48784319  0.65886202  1.0
  B  B29  1  0.51114771  0.51114771  0.15389996  1.0
  B  B30  1  0.32511937  0.75648606  0.88598404  1.0
  B  B31  1  0.75648606  0.32511937  0.88598404  1.0
  B  B32  1  0.67519194  0.24562647  0.38509945  1.0
  B  B33  1  0.24562647  0.67519194  0.38509945  1.0
  B  B34  1  0.39953262  0.98637032  0.62278709  1.0
  B  B35  1  0.98637032  0.39953262  0.62278709  1.0
  B  B36  1  0.60006825  0.01296638  0.12232480  1.0
  B  B37  1  0.01296638  0.60006825  0.12232480  1.0