# generated using pymatgen data_Zr2TaGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.54266122 _cell_length_b 8.46533296 _cell_length_c 9.17373658 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr2TaGa3 _chemical_formula_sum 'Zr8 Ta4 Ga12' _cell_volume 430.43605613 _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 Zr Zr0 1 0.75000000 0.47008112 0.62048483 1.0 Zr Zr1 1 0.25000000 0.52991888 0.37951517 1.0 Zr Zr2 1 0.75000000 0.97008112 0.37951517 1.0 Zr Zr3 1 0.25000000 0.02991888 0.62048483 1.0 Zr Zr4 1 0.75000000 0.36688159 0.18353656 1.0 Zr Zr5 1 0.25000000 0.63311841 0.81646344 1.0 Zr Zr6 1 0.75000000 0.86688159 0.81646344 1.0 Zr Zr7 1 0.25000000 0.13311841 0.18353656 1.0 Ta Ta8 1 0.00000000 0.75000000 0.11150178 1.0 Ta Ta9 1 0.50000000 0.25000000 0.88849822 1.0 Ta Ta10 1 0.00000000 0.25000000 0.88849822 1.0 Ta Ta11 1 0.50000000 0.75000000 0.11150178 1.0 Ga Ga12 1 0.00000000 0.75000000 0.57043053 1.0 Ga Ga13 1 0.50000000 0.25000000 0.42956947 1.0 Ga Ga14 1 0.00000000 0.25000000 0.42956947 1.0 Ga Ga15 1 0.50000000 0.75000000 0.57043053 1.0 Ga Ga16 1 0.75000000 0.04481739 0.07984961 1.0 Ga Ga17 1 0.25000000 0.95518261 0.92015039 1.0 Ga Ga18 1 0.75000000 0.54481739 0.92015039 1.0 Ga Ga19 1 0.25000000 0.45518261 0.07984961 1.0 Ga Ga20 1 0.75000000 0.13431718 0.65319089 1.0 Ga Ga21 1 0.25000000 0.86568282 0.34680911 1.0 Ga Ga22 1 0.75000000 0.63431718 0.34680911 1.0 Ga Ga23 1 0.25000000 0.36568282 0.65319089 1.0