# generated using pymatgen
data_Th2MnSi5Ir2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.24575116
_cell_length_b   8.24574948
_cell_length_c   8.24575050
_cell_angle_alpha   138.05149059
_cell_angle_beta   105.73852400
_cell_angle_gamma   89.14089948
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Th2MnSi5Ir2
_chemical_formula_sum   'Th4 Mn2 Si10 Ir4'
_cell_volume   345.19350590
_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
  Th  Th0  1  0.86234183  0.62736512  0.23497672  1.0
  Th  Th1  1  0.13765917  0.37263488  0.76502328  1.0
  Th  Th2  1  0.39238840  0.12736512  0.26502328  1.0
  Th  Th3  1  0.60761160  0.87263488  0.73497672  1.0
  Mn  Mn4  1  0.00000000  0.75000000  0.75000000  1.0
  Mn  Mn5  1  0.00000000  0.25000000  0.25000000  1.0
  Si  Si6  1  0.50000000  0.75000000  0.25000000  1.0
  Si  Si7  1  0.50000000  0.25000000  0.75000000  1.0
  Si  Si8  1  0.22682233  0.97682233  0.75000000  1.0
  Si  Si9  1  0.77317767  0.52317767  0.75000000  1.0
  Si  Si10  1  0.77317767  0.02317767  0.25000000  1.0
  Si  Si11  1  0.22682233  0.47682233  0.25000000  1.0
  Si  Si12  1  0.03903208  0.89158359  0.14744849  1.0
  Si  Si13  1  0.96096792  0.10841641  0.85255151  1.0
  Si  Si14  1  0.74413509  0.39158359  0.35255151  1.0
  Si  Si15  1  0.25586491  0.60841641  0.64744849  1.0
  Ir  Ir16  1  0.24730402  0.86098270  0.38632032  1.0
  Ir  Ir17  1  0.75269598  0.13901730  0.61367968  1.0
  Ir  Ir18  1  0.47466238  0.36098270  0.11367968  1.0
  Ir  Ir19  1  0.52533762  0.63901730  0.88632032  1.0