# generated using pymatgen data_Tm2Mn6P7Ir6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.48075336 _cell_length_b 9.48075353 _cell_length_c 3.87827358 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000298 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tm2Mn6P7Ir6 _chemical_formula_sum 'Tm2 Mn6 P7 Ir6' _cell_volume 301.89419714 _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 Tm Tm0 1 0.00000000 0.00000000 0.00000000 1.0 Tm Tm1 1 0.66666700 0.33333300 0.50000000 1.0 Mn Mn2 1 0.21918699 0.38969031 0.00000000 1.0 Mn Mn3 1 0.61030969 0.82949668 0.00000000 1.0 Mn Mn4 1 0.17050332 0.78081301 0.00000000 1.0 Mn Mn5 1 0.45900709 0.56388256 0.50000000 1.0 Mn Mn6 1 0.43611744 0.89512553 0.50000000 1.0 Mn Mn7 1 0.10487447 0.54099291 0.50000000 1.0 P P8 1 0.44695608 0.36234660 0.00000000 1.0 P P9 1 0.63765340 0.08460947 0.00000000 1.0 P P10 1 0.91539053 0.55304392 0.00000000 1.0 P P11 1 0.04585690 0.25538408 0.50000000 1.0 P P12 1 0.74461592 0.79047382 0.50000000 1.0 P P13 1 0.20952618 0.95414310 0.50000000 1.0 P P14 1 0.33333300 0.66666700 0.00000000 1.0 Ir Ir15 1 0.69363072 0.59911955 0.00000000 1.0 Ir Ir16 1 0.40088045 0.09451217 0.00000000 1.0 Ir Ir17 1 0.90548783 0.30636928 0.00000000 1.0 Ir Ir18 1 0.27464396 0.22460235 0.50000000 1.0 Ir Ir19 1 0.77539765 0.05004061 0.50000000 1.0 Ir Ir20 1 0.94995939 0.72535604 0.50000000 1.0