# generated using pymatgen data_Hf9MnRe3Ir _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.48353883 _cell_length_b 8.56077633 _cell_length_c 8.56077553 _cell_angle_alpha 119.99938046 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9MnRe3Ir _chemical_formula_sum 'Hf18 Mn2 Re6 Ir2' _cell_volume 538.43918124 _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 Hf Hf0 1 0.55640342 0.80581359 0.61163884 1.0 Hf Hf1 1 0.55639562 0.80582067 0.19417933 1.0 Hf Hf2 1 0.55640342 0.38836116 0.19418641 1.0 Hf Hf3 1 0.44359658 0.19418641 0.38836116 1.0 Hf Hf4 1 0.44360438 0.19417933 0.80582067 1.0 Hf Hf5 1 0.44359658 0.61163884 0.80581359 1.0 Hf Hf6 1 0.05640342 0.19418641 0.38836116 1.0 Hf Hf7 1 0.05639562 0.19417933 0.80582067 1.0 Hf Hf8 1 0.05640342 0.61163884 0.80581359 1.0 Hf Hf9 1 0.94359658 0.80581359 0.61163884 1.0 Hf Hf10 1 0.94360438 0.80582067 0.19417933 1.0 Hf Hf11 1 0.94359658 0.38836116 0.19418641 1.0 Hf Hf12 1 0.75000000 0.45737146 0.91473901 1.0 Hf Hf13 1 0.75000000 0.45737055 0.54262945 1.0 Hf Hf14 1 0.75000000 0.08526099 0.54262854 1.0 Hf Hf15 1 0.25000000 0.54262854 0.08526099 1.0 Hf Hf16 1 0.25000000 0.54262945 0.45737055 1.0 Hf Hf17 1 0.25000000 0.91473901 0.45737146 1.0 Mn Mn18 1 0.50000000 0.00000000 0.00000000 1.0 Mn Mn19 1 0.00000000 0.00000000 0.00000000 1.0 Re Re20 1 0.75000000 0.10973261 0.21948927 1.0 Re Re21 1 0.75000000 0.10974824 0.89025176 1.0 Re Re22 1 0.75000000 0.78051073 0.89026739 1.0 Re Re23 1 0.25000000 0.89026739 0.78051073 1.0 Re Re24 1 0.25000000 0.89025176 0.10974824 1.0 Re Re25 1 0.25000000 0.21948927 0.10973261 1.0 Ir Ir26 1 0.75000000 0.66667340 0.33332660 1.0 Ir Ir27 1 0.25000000 0.33332660 0.66667340 1.0