# generated using pymatgen data_Hf2SiNi3As2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68605916 _cell_length_b 10.21775856 _cell_length_c 12.49094017 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2SiNi3As2 _chemical_formula_sum 'Hf8 Si4 Ni12 As8' _cell_volume 470.44955931 _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 0.25000000 0.33336654 0.99481569 1.0 Hf Hf1 1 0.25000000 0.16663346 0.49481569 1.0 Hf Hf2 1 0.75000000 0.66663346 0.00518431 1.0 Hf Hf3 1 0.75000000 0.83336654 0.50518431 1.0 Hf Hf4 1 0.25000000 0.43280563 0.70759578 1.0 Hf Hf5 1 0.25000000 0.06719437 0.20759578 1.0 Hf Hf6 1 0.75000000 0.56719437 0.29240422 1.0 Hf Hf7 1 0.75000000 0.93280563 0.79240422 1.0 Si Si8 1 0.25000000 0.10097266 0.89881252 1.0 Si Si9 1 0.25000000 0.39902734 0.39881252 1.0 Si Si10 1 0.75000000 0.89902734 0.10118748 1.0 Si Si11 1 0.75000000 0.60097266 0.60118748 1.0 Ni Ni12 1 0.25000000 0.91014266 0.98764290 1.0 Ni Ni13 1 0.25000000 0.58985734 0.48764290 1.0 Ni Ni14 1 0.75000000 0.08985734 0.01235710 1.0 Ni Ni15 1 0.75000000 0.41014266 0.51235710 1.0 Ni Ni16 1 0.25000000 0.13935460 0.72137055 1.0 Ni Ni17 1 0.25000000 0.36064540 0.22137055 1.0 Ni Ni18 1 0.75000000 0.86064540 0.27862945 1.0 Ni Ni19 1 0.75000000 0.63935460 0.77862945 1.0 Ni Ni20 1 0.25000000 0.77961591 0.16119668 1.0 Ni Ni21 1 0.25000000 0.72038409 0.66119668 1.0 Ni Ni22 1 0.75000000 0.22038409 0.83880332 1.0 Ni Ni23 1 0.75000000 0.27961591 0.33880332 1.0 As As24 1 0.25000000 0.74251243 0.85639604 1.0 As As25 1 0.25000000 0.75748757 0.35639604 1.0 As As26 1 0.75000000 0.25748757 0.14360396 1.0 As As27 1 0.75000000 0.24251243 0.64360396 1.0 As As28 1 0.25000000 0.55168767 0.12603905 1.0 As As29 1 0.25000000 0.94831233 0.62603905 1.0 As As30 1 0.75000000 0.44831233 0.87396095 1.0 As As31 1 0.75000000 0.05168767 0.37396095 1.0