# generated using pymatgen
data_ThFeSi2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.72223733
_cell_length_b   5.72223728
_cell_length_c   5.72223747
_cell_angle_alpha   138.11367146
_cell_angle_beta   138.11367212
_cell_angle_gamma   60.72895289
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ThFeSi2Ir
_chemical_formula_sum   'Th1 Fe1 Si2 Ir1'
_cell_volume   82.62126659
_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
  Th  Th0  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe1  1  0.75000000  0.25000000  0.50000000  1.0
  Si  Si2  1  0.63034862  0.63034862  0.00000000  1.0
  Si  Si3  1  0.36965138  0.36965138  1.00000000  1.0
  Ir  Ir4  1  0.25000000  0.75000000  0.50000000  1.0