# generated using pymatgen data_Ti2SiNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79842170 _cell_length_b 4.79842170 _cell_length_c 7.50276500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999582 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ti2SiNi3 _chemical_formula_sum 'Ti4 Si2 Ni6' _cell_volume 149.60593340 _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 Ti Ti0 1 0.33333300 0.66666700 0.55851700 1.0 Ti Ti1 1 0.66666700 0.33333300 0.44148300 1.0 Ti Ti2 1 0.66666700 0.33333300 0.05851700 1.0 Ti Ti3 1 0.33333300 0.66666700 0.94148300 1.0 Si Si4 1 0.00000000 0.00000000 0.00000000 1.0 Si Si5 1 0.00000000 0.00000000 0.50000000 1.0 Ni Ni6 1 0.16987200 0.33974300 0.25000000 1.0 Ni Ni7 1 0.83012800 0.66025700 0.75000000 1.0 Ni Ni8 1 0.66025700 0.83012800 0.25000000 1.0 Ni Ni9 1 0.33974300 0.16987200 0.75000000 1.0 Ni Ni10 1 0.16987200 0.83012800 0.25000000 1.0 Ni Ni11 1 0.83012800 0.16987200 0.75000000 1.0