# generated using pymatgen
data_Mg5Sc3(B6Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.84943241
_cell_length_b   11.17999293
_cell_length_c   3.45926784
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   89.89892560
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Sc3(B6Ir)4
_chemical_formula_sum   'Mg5 Sc3 B24 Ir4'
_cell_volume   342.24763791
_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
  Mg  Mg0  1  0.31223167  0.42173122  0.00000000  1.0
  Mg  Mg1  1  0.68592051  0.58822415  0.00000000  1.0
  Mg  Mg2  1  0.05552828  0.62485731  0.00000000  1.0
  Mg  Mg3  1  0.55326325  0.87465335  0.00000000  1.0
  Mg  Mg4  1  0.19023607  0.91006985  0.00000000  1.0
  Sc  Sc5  1  0.81499954  0.08077796  0.00000000  1.0
  Sc  Sc6  1  0.44413345  0.12210080  0.00000000  1.0
  Sc  Sc7  1  0.94453714  0.37701360  0.00000000  1.0
  B  B8  1  0.60193806  0.02683682  0.50000100  1.0
  B  B9  1  0.05348399  0.06393371  0.50000100  1.0
  B  B10  1  0.25153695  0.07628865  0.50000100  1.0
  B  B11  1  0.63023551  0.18037865  0.50000100  1.0
  B  B12  1  0.97942709  0.21357581  0.50000100  1.0
  B  B13  1  0.29249147  0.23545562  0.50000100  1.0
  B  B14  1  0.79334068  0.26419824  0.50000100  1.0
  B  B15  1  0.47904572  0.28600677  0.50000100  1.0
  B  B16  1  0.13035182  0.31940169  0.50000100  1.0
  B  B17  1  0.75096051  0.42317784  0.50000100  1.0
  B  B18  1  0.55322589  0.43595666  0.50000100  1.0
  B  B19  1  0.09999054  0.47418902  0.50000100  1.0
  B  B20  1  0.90040248  0.52914936  0.50000100  1.0
  B  B21  1  0.44574614  0.56502955  0.50000100  1.0
  B  B22  1  0.24774082  0.57963262  0.50000100  1.0
  B  B23  1  0.87152480  0.68370715  0.50000100  1.0
  B  B24  1  0.52173670  0.71245301  0.50000100  1.0
  B  B25  1  0.20688533  0.73646390  0.50000100  1.0
  B  B26  1  0.70638697  0.76343485  0.50000100  1.0
  B  B27  1  0.02194066  0.78723993  0.50000100  1.0
  B  B28  1  0.37168841  0.81690963  0.50000100  1.0
  B  B29  1  0.74741465  0.92068845  0.50000100  1.0
  B  B30  1  0.94579086  0.93497351  0.50000100  1.0
  B  B31  1  0.39933676  0.97087262  0.50000100  1.0
  Ir  Ir32  1  0.13645581  0.17922134  0.00000000  1.0
  Ir  Ir33  1  0.63721922  0.31973530  0.00000000  1.0
  Ir  Ir34  1  0.36161406  0.68005747  0.00000000  1.0
  Ir  Ir35  1  0.86124322  0.82160260  0.00000000  1.0