# generated using pymatgen data_Hf2SiMo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29975435 _cell_length_b 5.29975435 _cell_length_c 8.59815200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000435 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2SiMo3 _chemical_formula_sum 'Hf4 Si2 Mo6' _cell_volume 209.14486726 _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 0.33333300 0.66666700 0.43674200 1.0 Hf Hf1 1 0.66666700 0.33333300 0.56325800 1.0 Hf Hf2 1 0.66666700 0.33333300 0.93674200 1.0 Hf Hf3 1 0.33333300 0.66666700 0.06325800 1.0 Si Si4 1 0.00000000 0.00000000 0.50000000 1.0 Si Si5 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo6 1 0.82978600 0.17021400 0.25000000 1.0 Mo Mo7 1 0.82978600 0.65957300 0.25000000 1.0 Mo Mo8 1 0.34042700 0.17021400 0.25000000 1.0 Mo Mo9 1 0.17021400 0.82978600 0.75000000 1.0 Mo Mo10 1 0.17021400 0.34042700 0.75000000 1.0 Mo Mo11 1 0.65957300 0.82978600 0.75000000 1.0