# generated using pymatgen data_YThMn12P7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.64804850 _cell_length_b 9.64804952 _cell_length_c 3.66450118 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999652 _symmetry_Int_Tables_number 1 _chemical_formula_structural YThMn12P7 _chemical_formula_sum 'Y1 Th1 Mn12 P7' _cell_volume 295.40953886 _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 Y Y0 1 0.33333300 0.66666700 0.00000000 1.0 Th Th1 1 0.00000000 0.00000000 0.50000000 1.0 Mn Mn2 1 0.04793420 0.28562736 0.00000000 1.0 Mn Mn3 1 0.71437264 0.76230683 0.00000000 1.0 Mn Mn4 1 0.23769317 0.95206580 0.00000000 1.0 Mn Mn5 1 0.54881273 0.05771906 0.00000000 1.0 Mn Mn6 1 0.94228094 0.49109367 0.00000000 1.0 Mn Mn7 1 0.50890633 0.45118727 0.00000000 1.0 Mn Mn8 1 0.62329235 0.89575552 0.50000000 1.0 Mn Mn9 1 0.10424448 0.72753684 0.50000000 1.0 Mn Mn10 1 0.27246316 0.37670765 0.50000000 1.0 Mn Mn11 1 0.79731164 0.23110989 0.50000000 1.0 Mn Mn12 1 0.76889011 0.56620175 0.50000000 1.0 Mn Mn13 1 0.43379825 0.20268836 0.50000000 1.0 P P14 1 0.78552195 0.04493029 0.00000000 1.0 P P15 1 0.95506971 0.74059167 0.00000000 1.0 P P16 1 0.25940833 0.21447805 0.00000000 1.0 P P17 1 0.38169210 0.91671200 0.50000000 1.0 P P18 1 0.08328800 0.46498010 0.50000000 1.0 P P19 1 0.53501990 0.61830790 0.50000000 1.0 P P20 1 0.66666700 0.33333300 0.00000000 1.0