# generated using pymatgen data_ZrGa3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.95025783 _cell_length_b 3.95025532 _cell_length_c 9.17668955 _cell_angle_alpha 102.38882579 _cell_angle_beta 102.38900972 _cell_angle_gamma 90.02143476 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrGa3 _chemical_formula_sum 'Zr2 Ga6' _cell_volume 136.44476417 _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 Zr Zr0 1 0.88154207 0.88154990 0.76289896 1.0 Zr Zr1 1 0.11846082 0.11845214 0.23710969 1.0 Ga Ga2 1 0.50000045 0.99999990 1.00000170 1.0 Ga Ga3 1 1.00000038 0.49999970 1.00000170 1.0 Ga Ga4 1 0.25017456 0.74983589 0.50000288 1.0 Ga Ga5 1 0.74983484 0.25017297 0.50000272 1.0 Ga Ga6 1 0.62351536 0.62350326 0.24758649 1.0 Ga Ga7 1 0.37647252 0.37648524 0.75239586 1.0