# generated using pymatgen data_HoTh(Ga3Ir)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56454790 _cell_length_b 7.59421107 _cell_length_c 9.43154855 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.91832848 _symmetry_Int_Tables_number 1 _chemical_formula_structural HoTh(Ga3Ir)3 _chemical_formula_sum 'Ho2 Th2 Ga18 Ir6' _cell_volume 469.60866697 _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 Ho Ho0 1 0.66933511 0.99490242 0.25000000 1.0 Ho Ho1 1 0.33066489 0.00509758 0.75000000 1.0 Th Th2 1 0.99806318 0.66783898 0.25000000 1.0 Th Th3 1 0.00193682 0.33216102 0.75000000 1.0 Ga Ga4 1 0.13242934 0.13097609 0.25000000 1.0 Ga Ga5 1 0.86757066 0.86902391 0.75000000 1.0 Ga Ga6 1 0.00016742 0.32715322 0.08179179 1.0 Ga Ga7 1 0.99983258 0.67284678 0.91820821 1.0 Ga Ga8 1 0.99983258 0.67284678 0.58179179 1.0 Ga Ga9 1 0.34039967 0.00420375 0.42486018 1.0 Ga Ga10 1 0.00016742 0.32715322 0.41820821 1.0 Ga Ga11 1 0.65960033 0.99579625 0.57513982 1.0 Ga Ga12 1 0.65960033 0.99579625 0.92486018 1.0 Ga Ga13 1 0.34039967 0.00420375 0.07513982 1.0 Ga Ga14 1 0.33801080 0.33346263 0.56474400 1.0 Ga Ga15 1 0.66198920 0.66653737 0.43525600 1.0 Ga Ga16 1 0.66198920 0.66653737 0.06474400 1.0 Ga Ga17 1 0.33801080 0.33346263 0.93525600 1.0 Ga Ga18 1 0.34384306 0.54497212 0.25000000 1.0 Ga Ga19 1 0.65615694 0.45502788 0.75000000 1.0 Ga Ga20 1 0.54110216 0.33251369 0.25000000 1.0 Ga Ga21 1 0.45889784 0.66748631 0.75000000 1.0 Ir Ir22 1 0.67570902 0.33199531 0.99995263 1.0 Ir Ir23 1 0.32429098 0.66800469 0.00004737 1.0 Ir Ir24 1 0.32429098 0.66800469 0.49995263 1.0 Ir Ir25 1 0.67570902 0.33199531 0.50004737 1.0 Ir Ir26 1 0.00000000 0.00000000 0.00000000 1.0 Ir Ir27 1 0.00000000 0.00000000 0.50000000 1.0