# generated using pymatgen data_Ta2GaNi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90876012 _cell_length_b 4.90876012 _cell_length_c 7.77330200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000162 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta2GaNi3 _chemical_formula_sum 'Ta4 Ga2 Ni6' _cell_volume 162.21080691 _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 Ta Ta0 1 0.33333300 0.66666700 0.44025300 1.0 Ta Ta1 1 0.66666700 0.33333300 0.55974700 1.0 Ta Ta2 1 0.66666700 0.33333300 0.94025300 1.0 Ta Ta3 1 0.33333300 0.66666700 0.05974700 1.0 Ga Ga4 1 0.00000000 0.00000000 0.50000000 1.0 Ga Ga5 1 0.00000000 0.00000000 0.00000000 1.0 Ni Ni6 1 0.82812200 0.17187800 0.25000000 1.0 Ni Ni7 1 0.82812200 0.65624400 0.25000000 1.0 Ni Ni8 1 0.34375600 0.17187800 0.25000000 1.0 Ni Ni9 1 0.17187800 0.82812200 0.75000000 1.0 Ni Ni10 1 0.17187800 0.34375600 0.75000000 1.0 Ni Ni11 1 0.65624400 0.82812200 0.75000000 1.0