# generated using pymatgen
data_Sc4ReB12Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.51063419
_cell_length_b   8.87810569
_cell_length_c   11.20066400
_cell_angle_alpha   90.19451652
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc4ReB12Ir
_chemical_formula_sum   'Sc8 Re2 B24 Ir2'
_cell_volume   349.09783525
_cell_formula_units_Z   2
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  0.50000000  0.31055623  0.40874138  1.0
  Sc  Sc1  1  0.50000000  0.68944377  0.59125862  1.0
  Sc  Sc2  1  0.50000000  0.17499975  0.91911838  1.0
  Sc  Sc3  1  0.50000000  0.82500025  0.08088162  1.0
  Sc  Sc4  1  0.50000000  0.44143949  0.12518009  1.0
  Sc  Sc5  1  0.50000000  0.55856051  0.87481991  1.0
  Sc  Sc6  1  0.50000000  0.05324981  0.62705991  1.0
  Sc  Sc7  1  0.50000000  0.94675019  0.37294009  1.0
  Re  Re8  1  0.50000000  0.13854013  0.18045497  1.0
  Re  Re9  1  0.50000000  0.86145987  0.81954503  1.0
  B  B10  1  0.00000000  0.10216733  0.47230310  1.0
  B  B11  1  0.00000000  0.89783267  0.52769690  1.0
  B  B12  1  0.00000000  0.39827786  0.97173837  1.0
  B  B13  1  0.00000000  0.60172214  0.02826163  1.0
  B  B14  1  0.00000000  0.12973984  0.31758710  1.0
  B  B15  1  0.00000000  0.87026016  0.68241290  1.0
  B  B16  1  0.00000000  0.36992199  0.81820679  1.0
  B  B17  1  0.00000000  0.63007801  0.18179321  1.0
  B  B18  1  0.00000000  0.05282763  0.06545568  1.0
  B  B19  1  0.00000000  0.94717237  0.93454432  1.0
  B  B20  1  0.00000000  0.44595440  0.56402175  1.0
  B  B21  1  0.00000000  0.55404560  0.43597825  1.0
  B  B22  1  0.00000000  0.47968497  0.28731205  1.0
  B  B23  1  0.00000000  0.52031503  0.71268795  1.0
  B  B24  1  0.00000000  0.02132178  0.78679878  1.0
  B  B25  1  0.00000000  0.97867822  0.21320122  1.0
  B  B26  1  0.00000000  0.25152240  0.07881764  1.0
  B  B27  1  0.00000000  0.74847760  0.92118236  1.0
  B  B28  1  0.00000000  0.24769830  0.57756674  1.0
  B  B29  1  0.00000000  0.75230170  0.42243326  1.0
  B  B30  1  0.00000000  0.29483657  0.23644699  1.0
  B  B31  1  0.00000000  0.70516343  0.76355301  1.0
  B  B32  1  0.00000000  0.20696222  0.73576273  1.0
  B  B33  1  0.00000000  0.79303778  0.26423727  1.0
  Ir  Ir34  1  0.50000000  0.36212761  0.67842063  1.0
  Ir  Ir35  1  0.50000000  0.63787239  0.32157937  1.0