# generated using pymatgen data_Sc9Tc3Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.66437138 _cell_length_b 8.66437144 _cell_length_c 8.29305328 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998826 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc9Tc3Mo _chemical_formula_sum 'Sc18 Tc6 Mo2' _cell_volume 539.16198091 _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 Sc Sc0 1 0.40123812 0.20061906 0.05486594 1.0 Sc Sc1 1 0.79938094 0.20061906 0.05486594 1.0 Sc Sc2 1 0.79937994 0.59876088 0.05486594 1.0 Sc Sc3 1 0.09553723 0.54776861 0.25000000 1.0 Sc Sc4 1 0.45223139 0.54776861 0.25000000 1.0 Sc Sc5 1 0.45223139 0.90446377 0.25000000 1.0 Sc Sc6 1 0.40123812 0.20061906 0.44513406 1.0 Sc Sc7 1 0.79938094 0.20061906 0.44513406 1.0 Sc Sc8 1 0.79937994 0.59876088 0.44513406 1.0 Sc Sc9 1 0.20061906 0.40123912 0.55486694 1.0 Sc Sc10 1 0.20061806 0.79938094 0.55486694 1.0 Sc Sc11 1 0.59876188 0.79938094 0.55486694 1.0 Sc Sc12 1 0.54776761 0.09553623 0.75000100 1.0 Sc Sc13 1 0.54776861 0.45223139 0.75000100 1.0 Sc Sc14 1 0.90446377 0.45223139 0.75000100 1.0 Sc Sc15 1 0.20061906 0.40123912 0.94513306 1.0 Sc Sc16 1 0.20061806 0.79938094 0.94513306 1.0 Sc Sc17 1 0.59876188 0.79938094 0.94513306 1.0 Tc Tc18 1 0.10879292 0.21758484 0.25000000 1.0 Tc Tc19 1 0.10879192 0.89120708 0.25000000 1.0 Tc Tc20 1 0.78241616 0.89120708 0.25000000 1.0 Tc Tc21 1 0.21758484 0.10879292 0.75000100 1.0 Tc Tc22 1 0.89120708 0.10879292 0.75000100 1.0 Tc Tc23 1 0.89120608 0.78241516 0.75000100 1.0 Mo Mo24 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo25 1 0.00000000 0.00000000 0.50000000 1.0