# generated using pymatgen data_Sc4ReSi3O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.67654156 _cell_length_b 7.67654232 _cell_length_c 5.44554650 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999674 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc4ReSi3O _chemical_formula_sum 'Sc8 Re2 Si6 O2' _cell_volume 277.90948635 _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 0.23207921 0.00000000 0.24802127 1.0 Sc Sc1 1 0.76792079 0.00000000 0.75197873 1.0 Sc Sc2 1 0.00000000 0.23207921 0.24802127 1.0 Sc Sc3 1 1.00000000 0.76792079 0.75197873 1.0 Sc Sc4 1 0.76792079 0.76792079 0.24802127 1.0 Sc Sc5 1 0.23207921 0.23207921 0.75197873 1.0 Sc Sc6 1 0.66666700 0.33333300 0.50000000 1.0 Sc Sc7 1 0.33333300 0.66666700 0.50000000 1.0 Re Re8 1 0.33333300 0.66666700 0.00000000 1.0 Re Re9 1 0.66666700 0.33333300 0.00000000 1.0 Si Si10 1 0.58894513 0.00000000 0.21349625 1.0 Si Si11 1 0.41105487 0.00000000 0.78650375 1.0 Si Si12 1 0.00000000 0.58894513 0.21349625 1.0 Si Si13 1 1.00000000 0.41105487 0.78650375 1.0 Si Si14 1 0.41105487 0.41105487 0.21349625 1.0 Si Si15 1 0.58894513 0.58894513 0.78650375 1.0 O O16 1 0.00000000 0.00000000 0.00000000 1.0 O O17 1 0.00000000 0.00000000 0.50000000 1.0