# generated using pymatgen data_Th2Mn6P7Ir6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.51061968 _cell_length_b 9.51057375 _cell_length_c 4.01927778 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00014438 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th2Mn6P7Ir6 _chemical_formula_sum 'Th2 Mn6 P7 Ir6' _cell_volume 314.84264668 _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 Th Th0 1 0.33334012 0.66667002 0.00000000 1.0 Th Th1 1 0.99999982 0.00000386 0.50000000 1.0 Mn Mn2 1 0.55135512 0.05710530 0.00000000 1.0 Mn Mn3 1 0.94291873 0.49423936 0.00000000 1.0 Mn Mn4 1 0.50575222 0.44865132 0.00000000 1.0 Mn Mn5 1 0.79570602 0.23493936 0.50000000 1.0 Mn Mn6 1 0.76503278 0.56074651 0.50000000 1.0 Mn Mn7 1 0.43923325 0.20430523 0.50000000 1.0 P P8 1 0.77688315 0.03563291 0.00000000 1.0 P P9 1 0.96434125 0.74121629 0.00000000 1.0 P P10 1 0.25877642 0.22313436 0.00000000 1.0 P P11 1 0.37631058 0.93124906 0.50000000 1.0 P P12 1 0.06876721 0.44507628 0.50000000 1.0 P P13 1 0.55494523 0.62367076 0.50000000 1.0 P P14 1 0.66666539 0.33333739 0.00000000 1.0 Ir Ir15 1 0.03430272 0.27043233 0.00000000 1.0 Ir Ir16 1 0.72957759 0.76387846 0.00000000 1.0 Ir Ir17 1 0.23611131 0.96571916 0.00000000 1.0 Ir Ir18 1 0.60874489 0.89627871 0.50000000 1.0 Ir Ir19 1 0.10371173 0.71246093 0.50000000 1.0 Ir Ir20 1 0.28752348 0.39125240 0.50000000 1.0