# generated using pymatgen data_Hf2SiAs3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64097005 _cell_length_b 3.64097005 _cell_length_c 8.16615908 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2SiAs3 _chemical_formula_sum 'Hf2 Si1 As3' _cell_volume 108.25601815 _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 0.50000000 0.00000000 0.73447907 1.0 Hf Hf1 1 0.00000000 0.50000000 0.26552093 1.0 Si Si2 1 0.50000000 0.50000000 -0.00000000 1.0 As As3 1 0.50000000 0.00000000 0.38616328 1.0 As As4 1 0.00000000 0.50000000 0.61383672 1.0 As As5 1 0.00000000 -0.00000000 0.00000000 1.0