# generated using pymatgen
data_Mg7Sc(B6Ir)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.45172368
_cell_length_b   8.84822715
_cell_length_c   11.13056471
_cell_angle_alpha   89.81006085
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg7Sc(B6Ir)4
_chemical_formula_sum   'Mg7 Sc1 B24 Ir4'
_cell_volume   339.94377926
_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  0.50000000  0.31595826  0.41880020  1.0
  Mg  Mg1  1  0.50000000  0.68313333  0.58711692  1.0
  Mg  Mg2  1  0.50000000  0.17470901  0.91061719  1.0
  Mg  Mg3  1  0.50000000  0.82489217  0.08302889  1.0
  Mg  Mg4  1  0.50000000  0.44485864  0.12576756  1.0
  Mg  Mg5  1  0.50000000  0.55558893  0.87223100  1.0
  Mg  Mg6  1  0.50000000  0.05499748  0.62562941  1.0
  Sc  Sc7  1  0.50000000  0.94451820  0.37307406  1.0
  B  B8  1  0.00000000  0.09868869  0.47455300  1.0
  B  B9  1  0.00000000  0.90224041  0.52788862  1.0
  B  B10  1  0.00000000  0.40779145  0.97440481  1.0
  B  B11  1  0.00000000  0.59237412  0.02521475  1.0
  B  B12  1  0.00000000  0.13207705  0.31799589  1.0
  B  B13  1  0.00000000  0.87030243  0.68279725  1.0
  B  B14  1  0.00000000  0.37114582  0.81923137  1.0
  B  B15  1  0.00000000  0.62877801  0.18010748  1.0
  B  B16  1  0.00000000  0.05570390  0.06376383  1.0
  B  B17  1  0.00000000  0.94460155  0.93547414  1.0
  B  B18  1  0.00000000  0.44559894  0.56607711  1.0
  B  B19  1  0.00000000  0.55288560  0.43517650  1.0
  B  B20  1  0.00000000  0.47890983  0.28788671  1.0
  B  B21  1  0.00000000  0.52116474  0.71220199  1.0
  B  B22  1  0.00000000  0.01955462  0.78823770  1.0
  B  B23  1  0.00000000  0.98139605  0.21143177  1.0
  B  B24  1  0.00000000  0.25536203  0.07767585  1.0
  B  B25  1  0.00000000  0.74515666  0.92194706  1.0
  B  B26  1  0.00000000  0.24683426  0.58091623  1.0
  B  B27  1  0.00000000  0.75135061  0.42116069  1.0
  B  B28  1  0.00000000  0.29554961  0.23721785  1.0
  B  B29  1  0.00000000  0.70569417  0.76279198  1.0
  B  B30  1  0.00000000  0.20539309  0.73833946  1.0
  B  B31  1  0.00000000  0.79355055  0.26196976  1.0
  Ir  Ir32  1  0.50000000  0.14202873  0.17833518  1.0
  Ir  Ir33  1  0.50000000  0.85897338  0.82089938  1.0
  Ir  Ir34  1  0.50000000  0.36029700  0.68257560  1.0
  Ir  Ir35  1  0.50000000  0.63794266  0.31746281  1.0