# generated using pymatgen data_Mn5Ga6MoRu12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.23904880 _cell_length_b 5.99591196 _cell_length_c 12.70443001 _cell_angle_alpha 90.00000291 _cell_angle_beta 89.99967480 _cell_angle_gamma 90.00002100 _symmetry_Int_Tables_number 1 _chemical_formula_structural Mn5Ga6MoRu12 _chemical_formula_sum 'Mn5 Ga6 Mo1 Ru12' _cell_volume 322.90803277 _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 Mn Mn0 1 0.49997893 0.50000100 0.16958981 1.0 Mn Mn1 1 0.99997122 0.00000100 0.33454720 1.0 Mn Mn2 1 0.49999857 0.50000000 0.49999085 1.0 Mn Mn3 1 0.00003130 0.99999900 0.66543004 1.0 Mn Mn4 1 0.50002303 0.49999900 0.83041426 1.0 Ga Ga5 1 0.99999936 0.49999900 0.00000339 1.0 Ga Ga6 1 0.49997634 1.00000000 0.16875386 1.0 Ga Ga7 1 0.99997351 0.50000000 0.33524133 1.0 Ga Ga8 1 0.49999810 0.00000200 0.49995588 1.0 Ga Ga9 1 0.00003329 0.50000000 0.66475948 1.0 Ga Ga10 1 0.50002601 0.00000100 0.83129155 1.0 Mo Mo11 1 0.99999924 0.99999900 0.00002415 1.0 Ru Ru12 1 0.50000024 0.25262809 0.00002081 1.0 Ru Ru13 1 0.50000024 0.74736991 0.00002081 1.0 Ru Ru14 1 0.99997589 0.25167144 0.16791620 1.0 Ru Ru15 1 0.99997589 0.74832956 0.16791620 1.0 Ru Ru16 1 0.49997636 0.24991774 0.33389052 1.0 Ru Ru17 1 0.49997936 0.75008426 0.33389352 1.0 Ru Ru18 1 0.99999820 0.24898007 0.49999697 1.0 Ru Ru19 1 0.99999820 0.75101993 0.49999797 1.0 Ru Ru20 1 0.50002377 0.24987591 0.66608161 1.0 Ru Ru21 1 0.50002277 0.75012509 0.66608161 1.0 Ru Ru22 1 0.00002108 0.25164321 0.83209148 1.0 Ru Ru23 1 0.00002008 0.74835579 0.83209148 1.0