# generated using pymatgen data_Hf2Si4Mo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.54578982 _cell_length_b 6.73756867 _cell_length_c 12.52096279 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2Si4Mo3 _chemical_formula_sum 'Hf8 Si16 Mo12' _cell_volume 552.20837096 _cell_formula_units_Z 4 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 0.99364057 0.16985905 0.09308799 1.0 Hf Hf1 1 0.00635943 0.83014095 0.90691201 1.0 Hf Hf2 1 0.50635943 0.66985905 0.90691201 1.0 Hf Hf3 1 0.00635943 0.83014095 0.59308799 1.0 Hf Hf4 1 0.49364057 0.33014095 0.09308799 1.0 Hf Hf5 1 0.99364057 0.16985905 0.40691201 1.0 Hf Hf6 1 0.49364057 0.33014095 0.40691201 1.0 Hf Hf7 1 0.50635943 0.66985905 0.59308799 1.0 Si Si8 1 0.03251320 0.12258604 0.75000000 1.0 Si Si9 1 0.96748680 0.87741396 0.25000000 1.0 Si Si10 1 0.46748680 0.62258604 0.25000000 1.0 Si Si11 1 0.53251320 0.37741396 0.75000000 1.0 Si Si12 1 0.29964012 0.86340858 0.75000000 1.0 Si Si13 1 0.70035988 0.13659142 0.25000000 1.0 Si Si14 1 0.20035988 0.36340858 0.25000000 1.0 Si Si15 1 0.79964012 0.63659142 0.75000000 1.0 Si Si16 1 0.16610754 0.45944488 0.54312537 1.0 Si Si17 1 0.83389246 0.54055512 0.45687463 1.0 Si Si18 1 0.33389246 0.95944488 0.45687463 1.0 Si Si19 1 0.83389246 0.54055512 0.04312537 1.0 Si Si20 1 0.66610754 0.04055512 0.54312537 1.0 Si Si21 1 0.16610754 0.45944488 0.95687463 1.0 Si Si22 1 0.66610754 0.04055512 0.95687463 1.0 Si Si23 1 0.33389246 0.95944488 0.04312537 1.0 Mo Mo24 1 0.16802353 0.51477533 0.75000000 1.0 Mo Mo25 1 0.83197647 0.48522467 0.25000000 1.0 Mo Mo26 1 0.33197647 0.01477533 0.25000000 1.0 Mo Mo27 1 0.66802353 0.98522467 0.75000000 1.0 Mo Mo28 1 0.33001946 0.16450289 0.62298319 1.0 Mo Mo29 1 0.66998054 0.83549711 0.37701681 1.0 Mo Mo30 1 0.16998054 0.66450289 0.37701681 1.0 Mo Mo31 1 0.66998054 0.83549711 0.12298319 1.0 Mo Mo32 1 0.83001946 0.33549711 0.62298319 1.0 Mo Mo33 1 0.33001946 0.16450289 0.87701681 1.0 Mo Mo34 1 0.83001946 0.33549711 0.87701681 1.0 Mo Mo35 1 0.16998054 0.66450289 0.12298319 1.0