# generated using pymatgen data_Th2Ga12Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.11349562 _cell_length_b 6.11349562 _cell_length_c 15.32261372 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Ga12Ir _chemical_formula_sum 'Th4 Ga24 Ir2' _cell_volume 572.68006202 _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 0.75929328 1.0 Th Th1 1 0.50000000 0.00000000 0.75929328 1.0 Th Th2 1 0.00000000 0.50000000 0.24070672 1.0 Th Th3 1 0.50000000 0.00000000 0.24070672 1.0 Ga Ga4 1 0.66863639 0.16863639 0.43096917 1.0 Ga Ga5 1 0.66863639 0.83136361 0.56903083 1.0 Ga Ga6 1 0.16863639 0.66863639 0.56903083 1.0 Ga Ga7 1 0.83136361 0.33136361 0.56903083 1.0 Ga Ga8 1 0.50000000 0.50000000 0.18799014 1.0 Ga Ga9 1 0.50000000 0.50000000 0.81200986 1.0 Ga Ga10 1 0.00000000 0.00000000 0.81200986 1.0 Ga Ga11 1 0.00000000 0.00000000 0.18799014 1.0 Ga Ga12 1 0.50000000 0.50000000 0.34616460 1.0 Ga Ga13 1 0.50000000 0.50000000 0.65383540 1.0 Ga Ga14 1 0.00000000 0.00000000 0.65383540 1.0 Ga Ga15 1 0.00000000 0.00000000 0.34616460 1.0 Ga Ga16 1 0.25047035 0.75047035 0.91317087 1.0 Ga Ga17 1 0.24952965 0.25047035 0.91317087 1.0 Ga Ga18 1 0.75047035 0.74952965 0.91317087 1.0 Ga Ga19 1 0.25047035 0.24952965 0.08682913 1.0 Ga Ga20 1 0.74952965 0.75047035 0.08682913 1.0 Ga Ga21 1 0.74952965 0.24952965 0.91317087 1.0 Ga Ga22 1 0.75047035 0.25047035 0.08682913 1.0 Ga Ga23 1 0.24952965 0.74952965 0.08682913 1.0 Ga Ga24 1 0.33136361 0.83136361 0.43096917 1.0 Ga Ga25 1 0.16863639 0.33136361 0.43096917 1.0 Ga Ga26 1 0.83136361 0.66863639 0.43096917 1.0 Ga Ga27 1 0.33136361 0.16863639 0.56903083 1.0 Ir Ir28 1 0.50000000 0.00000000 0.00000000 1.0 Ir Ir29 1 0.00000000 0.50000000 0.00000000 1.0