# generated using pymatgen data_Ta3GaNi2N _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.01160386 _cell_length_b 8.01160435 _cell_length_c 8.01160312 _cell_angle_alpha 60.00000103 _cell_angle_beta 59.99999903 _cell_angle_gamma 60.00000136 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta3GaNi2N _chemical_formula_sum 'Ta12 Ga4 Ni8 N4' _cell_volume 363.61634284 _cell_formula_units_Z 4 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 0.80359902 0.80359902 0.19640098 1.0 Ta Ta1 1 0.19640098 0.19640098 0.80359902 1.0 Ta Ta2 1 0.80359902 0.19640098 0.80359902 1.0 Ta Ta3 1 0.19640098 0.80359902 0.19640098 1.0 Ta Ta4 1 0.19640098 0.80359902 0.80359902 1.0 Ta Ta5 1 0.80359902 0.19640098 0.19640098 1.0 Ta Ta6 1 0.44640098 0.44640098 0.05359902 1.0 Ta Ta7 1 0.05359902 0.05359902 0.44640098 1.0 Ta Ta8 1 0.44640098 0.05359902 0.44640098 1.0 Ta Ta9 1 0.05359902 0.44640098 0.05359902 1.0 Ta Ta10 1 0.05359902 0.44640098 0.44640098 1.0 Ta Ta11 1 0.44640098 0.05359902 0.05359902 1.0 Ga Ga12 1 0.12500000 0.62500000 0.62500000 1.0 Ga Ga13 1 0.62500000 0.12500000 0.62500000 1.0 Ga Ga14 1 0.62500000 0.62500000 0.12500000 1.0 Ga Ga15 1 0.62500000 0.62500000 0.62500000 1.0 Ni Ni16 1 0.75370487 0.41543138 0.41543138 1.0 Ni Ni17 1 0.41543138 0.75370487 0.41543138 1.0 Ni Ni18 1 0.41543138 0.41543138 0.75370487 1.0 Ni Ni19 1 0.41543138 0.41543138 0.41543138 1.0 Ni Ni20 1 0.49629513 0.83456862 0.83456862 1.0 Ni Ni21 1 0.83456862 0.49629513 0.83456862 1.0 Ni Ni22 1 0.83456862 0.83456862 0.49629513 1.0 Ni Ni23 1 0.83456862 0.83456862 0.83456862 1.0 N N24 1 0.62500000 0.12500000 0.12500000 1.0 N N25 1 0.12500000 0.62500000 0.12500000 1.0 N N26 1 0.12500000 0.12500000 0.62500000 1.0 N N27 1 0.12500000 0.12500000 0.12500000 1.0