# generated using pymatgen data_TaSi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78379146 _cell_length_b 4.78379008 _cell_length_c 6.55280556 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999568 _symmetry_Int_Tables_number 1 _chemical_formula_structural TaSi2 _chemical_formula_sum 'Ta3 Si6' _cell_volume 129.86803982 _cell_formula_units_Z 3 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 Ta Ta0 1 -0.00000000 0.50000000 0.33333300 1.0 Ta Ta1 1 0.50000000 0.50000000 0.66666700 1.0 Ta Ta2 1 0.50000000 -0.00000000 -0.00000000 1.0 Si Si3 1 0.84161014 0.68321928 -0.00000000 1.0 Si Si4 1 0.15838986 0.84161014 0.66666700 1.0 Si Si5 1 0.68321928 0.84161014 0.33333300 1.0 Si Si6 1 0.15838986 0.31678072 -0.00000000 1.0 Si Si7 1 0.84161014 0.15838986 0.66666700 1.0 Si Si8 1 0.31678072 0.15838986 0.33333300 1.0