# generated using pymatgen data_Y3Pa(Ga3Ir)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.53541365 _cell_length_b 7.53424136 _cell_length_c 9.39063995 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.82758163 _symmetry_Int_Tables_number 1 _chemical_formula_structural Y3Pa(Ga3Ir)6 _chemical_formula_sum 'Y3 Pa1 Ga18 Ir6' _cell_volume 462.51345647 _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 Y Y0 1 0.00268240 0.33087777 0.75000000 1.0 Y Y1 1 0.67026359 0.99659545 0.25000000 1.0 Y Y2 1 0.33082157 0.00292999 0.75000000 1.0 Pa Pa3 1 0.99873821 0.66975401 0.25000000 1.0 Ga Ga4 1 0.13311522 0.13232945 0.25000000 1.0 Ga Ga5 1 0.86997873 0.87198712 0.75000000 1.0 Ga Ga6 1 0.00039184 0.33058413 0.07866815 1.0 Ga Ga7 1 0.99923694 0.66541794 0.91777487 1.0 Ga Ga8 1 0.99923694 0.66541794 0.58222513 1.0 Ga Ga9 1 0.33913665 0.00432725 0.42103907 1.0 Ga Ga10 1 0.00039184 0.33058413 0.42133185 1.0 Ga Ga11 1 0.66560096 0.00006253 0.57865271 1.0 Ga Ga12 1 0.66560096 0.00006253 0.92134729 1.0 Ga Ga13 1 0.33913665 0.00432725 0.07896093 1.0 Ga Ga14 1 0.33263007 0.33273470 0.56853119 1.0 Ga Ga15 1 0.66243067 0.66580989 0.43375196 1.0 Ga Ga16 1 0.66243067 0.66580989 0.06624804 1.0 Ga Ga17 1 0.33263007 0.33273470 0.93146881 1.0 Ga Ga18 1 0.33785973 0.54316835 0.25000000 1.0 Ga Ga19 1 0.66059529 0.45421233 0.75000000 1.0 Ga Ga20 1 0.54382670 0.33971728 0.25000000 1.0 Ga Ga21 1 0.45402326 0.66314357 0.75000000 1.0 Ir Ir22 1 0.67425093 0.33189550 0.00234286 1.0 Ir Ir23 1 0.32580306 0.67099337 0.00250555 1.0 Ir Ir24 1 0.32580306 0.67099337 0.49749445 1.0 Ir Ir25 1 0.67425093 0.33189550 0.49765714 1.0 Ir Ir26 1 0.99956454 0.99581803 0.00316747 1.0 Ir Ir27 1 0.99956454 0.99581803 0.49683253 1.0