# generated using pymatgen data_Hf2TiNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 14.52184444 _cell_length_b 13.79498549 _cell_length_c 7.71666549 _cell_angle_alpha 79.45451527 _cell_angle_beta 69.05155761 _cell_angle_gamma 31.49392712 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf2TiNi3 _chemical_formula_sum 'Hf16 Ti8 Ni24' _cell_volume 730.29633917 _cell_formula_units_Z 8 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 0.40974600 0.40974600 0.09025400 1.0 Hf Hf1 1 0.09025400 0.09025400 0.40974600 1.0 Hf Hf2 1 0.84025400 0.84025400 0.15974600 1.0 Hf Hf3 1 0.15974600 0.15974600 0.84025400 1.0 Hf Hf4 1 0.28076700 0.71923300 0.28076700 1.0 Hf Hf5 1 0.71923300 0.28076700 0.71923300 1.0 Hf Hf6 1 0.96923300 0.53076700 0.96923300 1.0 Hf Hf7 1 0.53076700 0.96923300 0.53076700 1.0 Hf Hf8 1 0.18852000 0.66178700 0.81040400 1.0 Hf Hf9 1 0.33928800 0.81040400 0.66178700 1.0 Hf Hf10 1 0.06148000 0.58821300 0.43959600 1.0 Hf Hf11 1 0.91071200 0.43959600 0.58821300 1.0 Hf Hf12 1 0.81040400 0.33928800 0.18852000 1.0 Hf Hf13 1 0.66178700 0.18852000 0.33928800 1.0 Hf Hf14 1 0.43959600 0.91071200 0.06148000 1.0 Hf Hf15 1 0.58821300 0.06148000 0.91071200 1.0 Ti Ti16 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti17 1 0.75000000 0.75000000 0.75000000 1.0 Ti Ti18 1 0.00000000 0.00000000 0.00000000 1.0 Ti Ti19 1 0.25000000 0.25000000 0.25000000 1.0 Ti Ti20 1 0.91710600 0.91710600 0.58289400 1.0 Ti Ti21 1 0.58289400 0.58289400 0.91710600 1.0 Ti Ti22 1 0.33289400 0.33289400 0.66710600 1.0 Ti Ti23 1 0.66710600 0.66710600 0.33289400 1.0 Ni Ni24 1 0.27589900 0.53389800 0.46242700 1.0 Ni Ni25 1 0.72777600 0.46242700 0.53389800 1.0 Ni Ni26 1 0.97410100 0.71610200 0.78757300 1.0 Ni Ni27 1 0.52222400 0.78757300 0.71610200 1.0 Ni Ni28 1 0.46242700 0.72777600 0.27589900 1.0 Ni Ni29 1 0.53389800 0.27589900 0.72777600 1.0 Ni Ni30 1 0.78757300 0.52222400 0.97410100 1.0 Ni Ni31 1 0.71610200 0.97410100 0.52222400 1.0 Ni Ni32 1 0.79457800 0.04639400 0.93316700 1.0 Ni Ni33 1 0.22586100 0.93316700 0.04639400 1.0 Ni Ni34 1 0.45542200 0.20360600 0.31683300 1.0 Ni Ni35 1 0.02413900 0.31683300 0.20360600 1.0 Ni Ni36 1 0.93316700 0.22586100 0.79457800 1.0 Ni Ni37 1 0.04639400 0.79457800 0.22586100 1.0 Ni Ni38 1 0.31683300 0.02413900 0.45542200 1.0 Ni Ni39 1 0.20360600 0.45542200 0.02413900 1.0 Ni Ni40 1 0.07017800 0.93314300 0.64505500 1.0 Ni Ni41 1 0.35162500 0.64505500 0.93314300 1.0 Ni Ni42 1 0.17982200 0.31685700 0.60494500 1.0 Ni Ni43 1 0.89837500 0.60494500 0.31685700 1.0 Ni Ni44 1 0.64505500 0.35162500 0.07017800 1.0 Ni Ni45 1 0.93314300 0.07017800 0.35162500 1.0 Ni Ni46 1 0.60494500 0.89837500 0.17982200 1.0 Ni Ni47 1 0.31685700 0.17982200 0.89837500 1.0