# generated using pymatgen
data_MgSc3Ir8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.20025904
_cell_length_b   5.20025800
_cell_length_c   8.46553690
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000660
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgSc3Ir8
_chemical_formula_sum   'Mg1 Sc3 Ir8'
_cell_volume   198.25994383
_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  0.33333300  0.66666700  0.43837360  1.0
  Sc  Sc1  1  0.33333300  0.66666700  0.07939015  1.0
  Sc  Sc2  1  0.66666700  0.33333300  0.56242954  1.0
  Sc  Sc3  1  0.66666700  0.33333300  0.92884409  1.0
  Ir  Ir4  1  0.00000000  0.00000000  0.99757342  1.0
  Ir  Ir5  1  0.00000000  0.00000000  0.49796816  1.0
  Ir  Ir6  1  0.82946415  0.65892931  0.24882386  1.0
  Ir  Ir7  1  0.17130017  0.82869983  0.74964982  1.0
  Ir  Ir8  1  0.65740065  0.82869983  0.74964982  1.0
  Ir  Ir9  1  0.34107069  0.17053585  0.24882386  1.0
  Ir  Ir10  1  0.82946415  0.17053585  0.24882386  1.0
  Ir  Ir11  1  0.17130017  0.34259935  0.74964982  1.0