# generated using pymatgen
data_Mg3ScGe6Ir7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.93689134
_cell_length_b   7.04914170
_cell_length_c   7.04914162
_cell_angle_alpha   109.79154107
_cell_angle_beta   109.14896300
_cell_angle_gamma   109.14896826
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3ScGe6Ir7
_chemical_formula_sum   'Mg3 Sc1 Ge6 Ir7'
_cell_volume   266.39573850
_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  0.50000000  0.50000000  1.0
  Mg  Mg1  1  0.00000000  0.00000000  0.50000000  1.0
  Mg  Mg2  1  0.00000000  0.50000000  0.00000000  1.0
  Sc  Sc3  1  0.50000000  0.00000000  0.00000000  1.0
  Ge  Ge4  1  0.00418690  0.31130994  0.31130994  1.0
  Ge  Ge5  1  0.99581310  0.68869006  0.68869006  1.0
  Ge  Ge6  1  0.30712305  0.00000000  0.31130994  1.0
  Ge  Ge7  1  0.69287695  0.00000000  0.68869006  1.0
  Ge  Ge8  1  0.30712305  0.31130994  0.00000000  1.0
  Ge  Ge9  1  0.69287695  0.68869006  0.00000000  1.0
  Ir  Ir10  1  0.50000000  0.74928481  0.25071519  1.0
  Ir  Ir11  1  0.50000000  0.25071519  0.74928481  1.0
  Ir  Ir12  1  0.24928481  0.49856962  0.74928481  1.0
  Ir  Ir13  1  0.75071519  0.50143038  0.25071519  1.0
  Ir  Ir14  1  0.75071519  0.25071519  0.50143038  1.0
  Ir  Ir15  1  0.24928481  0.74928481  0.49856962  1.0
  Ir  Ir16  1  0.00000000  0.00000000  0.00000000  1.0