# generated using pymatgen
data_Mg4B12IrRu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45785028
_cell_length_b   8.83648621
_cell_length_c   11.03823292
_cell_angle_alpha   90.05328064
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg4B12IrRu
_chemical_formula_sum   'Mg8 B24 Ir2 Ru2'
_cell_volume   337.27578017
_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
  Mg  Mg0  1  0.00000000  0.32052710  0.41056317  1.0
  Mg  Mg1  1  0.00000000  0.67947290  0.58943683  1.0
  Mg  Mg2  1  0.00000000  0.83229437  0.08298187  1.0
  Mg  Mg3  1  0.00000000  0.16770563  0.91701813  1.0
  Mg  Mg4  1  0.00000000  0.94682577  0.37113055  1.0
  Mg  Mg5  1  0.00000000  0.05317423  0.62886945  1.0
  Mg  Mg6  1  0.00000000  0.44133911  0.12704781  1.0
  Mg  Mg7  1  0.00000000  0.55866089  0.87295219  1.0
  B  B8  1  0.50000000  0.55605840  0.43592863  1.0
  B  B9  1  0.50000000  0.44394160  0.56407137  1.0
  B  B10  1  0.50000000  0.05490710  0.06431716  1.0
  B  B11  1  0.50000000  0.94509290  0.93568284  1.0
  B  B12  1  0.50000000  0.75594172  0.42040656  1.0
  B  B13  1  0.50000000  0.24405828  0.57959344  1.0
  B  B14  1  0.50000000  0.25553566  0.07933483  1.0
  B  B15  1  0.50000000  0.74446434  0.92066517  1.0
  B  B16  1  0.50000000  0.79679091  0.26174600  1.0
  B  B17  1  0.50000000  0.20320909  0.73825400  1.0
  B  B18  1  0.50000000  0.29633996  0.23856015  1.0
  B  B19  1  0.50000000  0.70366004  0.76143985  1.0
  B  B20  1  0.50000000  0.63157577  0.18045648  1.0
  B  B21  1  0.50000000  0.36842423  0.81954352  1.0
  B  B22  1  0.50000000  0.13106544  0.31947854  1.0
  B  B23  1  0.50000000  0.86893456  0.68052146  1.0
  B  B24  1  0.50000000  0.98011660  0.21116377  1.0
  B  B25  1  0.50000000  0.01988340  0.78883623  1.0
  B  B26  1  0.50000000  0.47911515  0.28902465  1.0
  B  B27  1  0.50000000  0.52088485  0.71097535  1.0
  B  B28  1  0.50000000  0.59242527  0.02515857  1.0
  B  B29  1  0.50000000  0.40757473  0.97484143  1.0
  B  B30  1  0.50000000  0.09233070  0.47405621  1.0
  B  B31  1  0.50000000  0.90766930  0.52594379  1.0
  Ir  Ir32  1  0.00000000  0.64057351  0.31902708  1.0
  Ir  Ir33  1  0.00000000  0.35942649  0.68097292  1.0
  Ru  Ru34  1  0.00000000  0.14111674  0.18011804  1.0
  Ru  Ru35  1  0.00000000  0.85888326  0.81988196  1.0