# generated using pymatgen
data_ThMgSiIr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.05241879
_cell_length_b   4.05241879
_cell_length_c   11.47539832
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThMgSiIr2
_chemical_formula_sum   'Th2 Mg2 Si2 Ir4'
_cell_volume   188.45011609
_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  0.23708842  1.0
  Th  Th1  1  0.50000000  0.00000000  0.76291158  1.0
  Mg  Mg2  1  0.00000000  0.00000000  0.50000000  1.0
  Mg  Mg3  1  0.50000000  0.50000000  0.50000000  1.0
  Si  Si4  1  0.00000000  0.50000000  0.88815094  1.0
  Si  Si5  1  0.50000000  0.00000000  0.11184906  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  0.67890750  1.0
  Ir  Ir9  1  0.50000000  0.00000000  0.32109250  1.0