# generated using pymatgen data_Sc4Al5Tc2Mo _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37103826 _cell_length_b 5.34751637 _cell_length_c 8.50857716 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.85523021 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4Al5Tc2Mo _chemical_formula_sum 'Sc4 Al5 Tc2 Mo1' _cell_volume 211.94815623 _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 Sc Sc0 1 0.32974985 0.66487642 0.44403666 1.0 Sc Sc1 1 0.66682019 0.33340960 0.55444122 1.0 Sc Sc2 1 0.66682019 0.33340960 0.94555878 1.0 Sc Sc3 1 0.32974985 0.66487642 0.05596334 1.0 Al Al4 1 0.82633881 0.16094410 0.25000000 1.0 Al Al5 1 0.82633881 0.66539571 0.25000000 1.0 Al Al6 1 0.32168068 0.16083984 0.25000000 1.0 Al Al7 1 0.19567583 0.84993194 0.75000000 1.0 Al Al8 1 0.19567583 0.34574189 0.75000000 1.0 Tc Tc9 1 0.97735773 0.98867787 0.50808580 1.0 Tc Tc10 1 0.97735773 0.98867787 0.99191420 1.0 Mo Mo11 1 0.68643550 0.84321675 0.75000000 1.0