# generated using pymatgen data_Zr3AlGa2Ru3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.09539633 _cell_length_b 7.09539796 _cell_length_c 3.38939282 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000627 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3AlGa2Ru3 _chemical_formula_sum 'Zr3 Al1 Ga2 Ru3' _cell_volume 147.77668751 _cell_formula_units_Z 1 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 0.40442932 0.40442932 0.50000000 1.0 Zr Zr1 1 0.59557068 1.00000000 0.50000000 1.0 Zr Zr2 1 0.00000000 0.59557068 0.50000000 1.0 Al Al3 1 0.00000000 0.00000000 0.50000000 1.0 Ga Ga4 1 0.66666700 0.33333300 0.00000000 1.0 Ga Ga5 1 0.33333300 0.66666700 0.00000000 1.0 Ru Ru6 1 0.00000000 0.25631595 0.00000000 1.0 Ru Ru7 1 0.25631595 1.00000000 0.00000000 1.0 Ru Ru8 1 0.74368405 0.74368405 0.00000000 1.0