# generated using pymatgen data_Hf4TiSiSn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.52332050 _cell_length_b 8.52332102 _cell_length_c 5.70044018 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000182 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4TiSiSn3 _chemical_formula_sum 'Hf8 Ti2 Si2 Sn6' _cell_volume 358.63831245 _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 0.50000000 1.0 Hf Hf1 1 0.66666700 0.33333300 0.50000000 1.0 Hf Hf2 1 0.74037896 0.74037896 0.74711319 1.0 Hf Hf3 1 0.25962104 1.00000000 0.74711319 1.0 Hf Hf4 1 0.00000000 0.25962104 0.74711319 1.0 Hf Hf5 1 0.25962104 0.25962104 0.25288681 1.0 Hf Hf6 1 0.74037896 0.00000000 0.25288681 1.0 Hf Hf7 1 1.00000000 0.74037896 0.25288681 1.0 Ti Ti8 1 0.66666700 0.33333300 0.00000000 1.0 Ti Ti9 1 0.33333300 0.66666700 0.00000000 1.0 Si Si10 1 0.00000000 0.00000000 0.00000000 1.0 Si Si11 1 0.00000000 0.00000000 0.50000000 1.0 Sn Sn12 1 0.39689425 0.39689425 0.75810638 1.0 Sn Sn13 1 0.60310575 1.00000000 0.75810638 1.0 Sn Sn14 1 0.00000000 0.60310575 0.75810638 1.0 Sn Sn15 1 0.60310575 0.60310575 0.24189362 1.0 Sn Sn16 1 0.39689425 0.00000000 0.24189362 1.0 Sn Sn17 1 1.00000000 0.39689425 0.24189362 1.0