# generated using pymatgen
data_ThSiIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.77334228
_cell_length_b   7.77334228
_cell_length_c   7.77334228
_cell_angle_alpha   148.75947112
_cell_angle_beta   148.75947112
_cell_angle_gamma   44.76547304
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThSiIr
_chemical_formula_sum   'Th2 Si2 Ir2'
_cell_volume   125.95371208
_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  0.57746606  0.57746606  0.00000000  1.0
  Th  Th1  1  0.32746606  0.82746606  0.50000000  1.0
  Si  Si2  1  0.00047687  0.00047687  -0.00000000  1.0
  Si  Si3  1  0.75047687  0.25047687  0.50000000  1.0
  Ir  Ir4  1  0.16905707  0.16905707  -0.00000000  1.0
  Ir  Ir5  1  0.91905707  0.41905707  0.50000000  1.0