# generated using pymatgen
data_ThInSiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.11792795
_cell_length_b   4.11792795
_cell_length_c   11.35652492
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThInSiIr2
_chemical_formula_sum   'Th2 In2 Si2 Ir4'
_cell_volume   192.57634723
_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  0.00000000  0.50000000  0.23398991  1.0
  Th  Th1  1  0.50000000  0.00000000  0.76601009  1.0
  In  In2  1  0.00000000  0.00000000  0.50000000  1.0
  In  In3  1  0.50000000  0.50000000  0.50000000  1.0
  Si  Si4  1  0.00000000  0.50000000  0.88738846  1.0
  Si  Si5  1  0.50000000  0.00000000  0.11261154  1.0
  Ir  Ir6  1  0.00000000  0.00000000  0.00000000  1.0
  Ir  Ir7  1  0.50000000  0.50000000  0.00000000  1.0
  Ir  Ir8  1  0.00000000  0.50000000  0.68084365  1.0
  Ir  Ir9  1  0.50000000  0.00000000  0.31915635  1.0