# generated using pymatgen data_Sc2Mn6P7Ir6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.47439506 _cell_length_b 9.47439538 _cell_length_c 3.80842106 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999888 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Mn6P7Ir6 _chemical_formula_sum 'Sc2 Mn6 P7 Ir6' _cell_volume 296.05921893 _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 Sc Sc0 1 0.00000000 0.00000000 0.00000000 1.0 Sc Sc1 1 0.66666700 0.33333300 0.50000000 1.0 Mn Mn2 1 0.61056421 0.78188087 0.00000000 1.0 Mn Mn3 1 0.17131766 0.38943579 0.00000000 1.0 Mn Mn4 1 0.21811913 0.82868234 0.00000000 1.0 Mn Mn5 1 0.43797368 0.54203395 0.50000000 1.0 Mn Mn6 1 0.10406127 0.56202632 0.50000000 1.0 Mn Mn7 1 0.45796605 0.89593873 0.50000000 1.0 P P8 1 0.63955408 0.55246032 0.00000000 1.0 P P9 1 0.91290624 0.36044592 0.00000000 1.0 P P10 1 0.44753968 0.08709376 0.00000000 1.0 P P11 1 0.74637280 0.95285171 0.50000000 1.0 P P12 1 0.20647892 0.25362720 0.50000000 1.0 P P13 1 0.04714829 0.79352108 0.50000000 1.0 P P14 1 0.33333300 0.66666700 0.00000000 1.0 Ir Ir15 1 0.40500310 0.30867041 0.00000000 1.0 Ir Ir16 1 0.90366732 0.59499690 0.00000000 1.0 Ir Ir17 1 0.69132959 0.09633268 0.00000000 1.0 Ir Ir18 1 0.77884926 0.72753904 0.50000000 1.0 Ir Ir19 1 0.94868978 0.22115074 0.50000000 1.0 Ir Ir20 1 0.27246096 0.05131022 0.50000000 1.0