# generated using pymatgen data_Hf9Re3MoP _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.52548520 _cell_length_b 8.52909891 _cell_length_c 8.60548166 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.01402048 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf9Re3MoP _chemical_formula_sum 'Hf18 Re6 Mo2 P2' _cell_volume 541.83455262 _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 0.19629514 0.80458628 0.45293702 1.0 Hf Hf1 1 0.19629514 0.39170786 0.45293702 1.0 Hf Hf2 1 0.60717090 0.80358545 0.45373999 1.0 Hf Hf3 1 0.80460344 0.19509499 0.55127194 1.0 Hf Hf4 1 0.80460344 0.60950945 0.55127194 1.0 Hf Hf5 1 0.38981642 0.19490871 0.55055575 1.0 Hf Hf6 1 0.80460344 0.19509499 0.94872806 1.0 Hf Hf7 1 0.80460344 0.60950945 0.94872806 1.0 Hf Hf8 1 0.38981642 0.19490871 0.94944425 1.0 Hf Hf9 1 0.19629514 0.80458628 0.04706298 1.0 Hf Hf10 1 0.19629514 0.39170786 0.04706298 1.0 Hf Hf11 1 0.60717090 0.80358545 0.04626001 1.0 Hf Hf12 1 0.53916484 0.45987851 0.25000000 1.0 Hf Hf13 1 0.53916484 0.07928632 0.25000000 1.0 Hf Hf14 1 0.92200515 0.46100207 0.25000000 1.0 Hf Hf15 1 0.45828961 0.54115859 0.75000000 1.0 Hf Hf16 1 0.45828961 0.91713202 0.75000000 1.0 Hf Hf17 1 0.08285910 0.54142955 0.75000000 1.0 Re Re18 1 0.22147530 0.11073715 0.25000000 1.0 Re Re19 1 0.10995395 0.89035131 0.75000000 1.0 Re Re20 1 0.10995395 0.21960365 0.75000000 1.0 Re Re21 1 0.78016509 0.89008355 0.75000000 1.0 Re Re22 1 0.00028972 0.00014436 0.50090866 1.0 Re Re23 1 0.00028972 0.00014436 0.99909134 1.0 Mo Mo24 1 0.89132328 0.10867857 0.25000000 1.0 Mo Mo25 1 0.89132328 0.78264371 0.25000000 1.0 P P26 1 0.33181116 0.66590558 0.25000000 1.0 P P27 1 0.66607541 0.33303720 0.75000000 1.0