# generated using pymatgen data_YLu2(P2Ir3)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.94258306 _cell_length_b 11.09870250 _cell_length_c 12.69383755 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural YLu2(P2Ir3)3 _chemical_formula_sum 'Y2 Lu4 P12 Ir18' _cell_volume 555.45131343 _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 Y Y0 1 0.00000000 0.50000000 0.52254643 1.0 Y Y1 1 0.50000000 0.00000000 0.47745357 1.0 Lu Lu2 1 0.50000000 0.81658776 0.20513051 1.0 Lu Lu3 1 0.50000000 0.18341224 0.20513051 1.0 Lu Lu4 1 0.00000000 0.68341224 0.79486949 1.0 Lu Lu5 1 0.00000000 0.31658776 0.79486949 1.0 P P6 1 0.50000000 0.50000000 0.87542250 1.0 P P7 1 0.00000000 0.00000000 0.12457750 1.0 P P8 1 0.50000000 0.50000000 0.36089711 1.0 P P9 1 0.00000000 0.00000000 0.63910289 1.0 P P10 1 0.50000000 0.31541759 0.61811665 1.0 P P11 1 0.50000000 0.68458241 0.61811665 1.0 P P12 1 0.00000000 0.18458241 0.38188335 1.0 P P13 1 0.00000000 0.81541759 0.38188335 1.0 P P14 1 0.50000000 0.84298675 0.89349769 1.0 P P15 1 0.50000000 0.15701325 0.89349769 1.0 P P16 1 0.00000000 0.65701325 0.10650231 1.0 P P17 1 0.00000000 0.34298675 0.10650231 1.0 Ir Ir18 1 0.50000000 0.50000000 0.18282591 1.0 Ir Ir19 1 0.00000000 0.00000000 0.81717409 1.0 Ir Ir20 1 0.50000000 0.50000000 0.70045258 1.0 Ir Ir21 1 0.00000000 0.00000000 0.29954742 1.0 Ir Ir22 1 0.00000000 0.50000000 0.96912150 1.0 Ir Ir23 1 0.50000000 0.00000000 0.03087850 1.0 Ir Ir24 1 0.50000000 0.33653796 0.00379702 1.0 Ir Ir25 1 0.50000000 0.66346204 0.00379702 1.0 Ir Ir26 1 0.00000000 0.16346204 0.99620298 1.0 Ir Ir27 1 0.00000000 0.83653796 0.99620298 1.0 Ir Ir28 1 0.50000000 0.29440209 0.42896872 1.0 Ir Ir29 1 0.50000000 0.70559791 0.42896872 1.0 Ir Ir30 1 0.00000000 0.20559791 0.57103128 1.0 Ir Ir31 1 0.00000000 0.79440209 0.57103128 1.0 Ir Ir32 1 0.50000000 0.86644495 0.71560243 1.0 Ir Ir33 1 0.50000000 0.13355505 0.71560243 1.0 Ir Ir34 1 0.00000000 0.63355505 0.28439757 1.0 Ir Ir35 1 0.00000000 0.36644495 0.28439757 1.0