# generated using pymatgen data_Zr3MnGa6Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.77333384 _cell_length_b 5.43937423 _cell_length_c 7.75696891 _cell_angle_alpha 89.92238054 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3MnGa6Ru _chemical_formula_sum 'Zr6 Mn2 Ga12 Ru2' _cell_volume 370.17343344 _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 0.52970891 0.24815182 0.14604658 1.0 Zr Zr1 1 0.97029109 0.24815182 0.14604658 1.0 Zr Zr2 1 0.74999900 0.74275842 0.27079005 1.0 Zr Zr3 1 0.25000000 0.25724058 0.72920895 1.0 Zr Zr4 1 0.02970991 0.75184718 0.85395342 1.0 Zr Zr5 1 0.47029109 0.75184718 0.85395342 1.0 Mn Mn6 1 0.00000000 0.50000000 0.50000000 1.0 Mn Mn7 1 0.50000000 0.50000000 0.50000000 1.0 Ga Ga8 1 0.25000000 0.01032713 0.04102687 1.0 Ga Ga9 1 0.25000000 0.48889421 0.05621384 1.0 Ga Ga10 1 0.06251652 0.75460122 0.23039625 1.0 Ga Ga11 1 0.43748348 0.75460122 0.23039625 1.0 Ga Ga12 1 0.25000000 0.21052328 0.37108371 1.0 Ga Ga13 1 0.74999900 0.24295562 0.42499834 1.0 Ga Ga14 1 0.25000000 0.75704338 0.57500166 1.0 Ga Ga15 1 0.74999900 0.78947572 0.62891529 1.0 Ga Ga16 1 0.56251652 0.24539778 0.76960275 1.0 Ga Ga17 1 0.93748348 0.24539778 0.76960275 1.0 Ga Ga18 1 0.74999900 0.51110479 0.94378616 1.0 Ga Ga19 1 0.74999900 0.98967187 0.95897313 1.0 Ru Ru20 1 0.00000000 0.00000000 0.50000000 1.0 Ru Ru21 1 0.50000000 0.00000000 0.50000000 1.0