# generated using pymatgen data_HfThMn12P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.58630670 _cell_length_b 9.58630694 _cell_length_c 3.61400261 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999535 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfThMn12P7 _chemical_formula_sum 'Hf1 Th1 Mn12 P7' _cell_volume 287.62177615 _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 Hf Hf0 1 0.33333300 0.66666700 0.00000000 1.0 Th Th1 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn2 1 0.04990038 0.28969070 0.00000000 1.0 Mn Mn3 1 0.71030930 0.76020968 0.00000000 1.0 Mn Mn4 1 0.23979032 0.95009962 0.00000000 1.0 Mn Mn5 1 0.54750734 0.05488448 0.00000000 1.0 Mn Mn6 1 0.94511552 0.49262286 0.00000000 1.0 Mn Mn7 1 0.50737714 0.45249266 0.00000000 1.0 Mn Mn8 1 0.62095681 0.89284378 0.50000000 1.0 Mn Mn9 1 0.10715622 0.72811203 0.50000000 1.0 Mn Mn10 1 0.27188797 0.37904319 0.50000000 1.0 Mn Mn11 1 0.79712689 0.23351124 0.50000000 1.0 Mn Mn12 1 0.76648876 0.56361666 0.50000000 1.0 Mn Mn13 1 0.43638334 0.20287311 0.50000000 1.0 P P14 1 0.78562351 0.04646271 0.00000000 1.0 P P15 1 0.95353729 0.73916080 0.00000000 1.0 P P16 1 0.26083920 0.21437649 0.00000000 1.0 P P17 1 0.38276236 0.90788390 0.50000000 1.0 P P18 1 0.09211610 0.47487846 0.50000000 1.0 P P19 1 0.52512154 0.61723764 0.50000000 1.0 P P20 1 0.66666700 0.33333300 0.00000000 1.0