# generated using pymatgen data_Sc2Cr4Si5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.19902009 _cell_length_b 9.19867896 _cell_length_c 9.19894447 _cell_angle_alpha 149.19675752 _cell_angle_beta 131.52196674 _cell_angle_gamma 58.54096003 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Cr4Si5 _chemical_formula_sum 'Sc4 Cr8 Si10' _cell_volume 296.14348903 _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 0.73828685 0.35736582 0.38098444 1.0 Sc Sc1 1 0.97636970 0.85732434 0.11901805 1.0 Sc Sc2 1 0.02367573 0.14268940 0.88101214 1.0 Sc Sc3 1 0.26169593 0.64264889 0.61898338 1.0 Cr Cr4 1 0.30940456 0.55950787 0.25010434 1.0 Cr Cr5 1 0.30949304 0.05942838 0.74989542 1.0 Cr Cr6 1 0.69061007 0.44050875 0.74990033 1.0 Cr Cr7 1 0.31535699 0.06121587 0.25401211 1.0 Cr Cr8 1 0.68459643 0.93876207 0.74596562 1.0 Cr Cr9 1 0.19282296 0.43861832 0.75406781 1.0 Cr Cr10 1 0.80717579 0.56135667 0.24595681 1.0 Cr Cr11 1 0.69052038 0.94058606 0.25010464 1.0 Si Si12 1 -0.00002137 0.24999673 0.24997667 1.0 Si Si13 1 0.00443659 0.71141314 0.29256650 1.0 Si Si14 1 0.99560917 0.28860108 0.70746149 1.0 Si Si15 1 0.58117579 0.78815195 0.79256311 1.0 Si Si16 1 0.00000838 0.74999175 0.75002063 1.0 Si Si17 1 0.51267685 0.43559717 0.07724150 1.0 Si Si18 1 0.48728872 0.56438825 0.92274082 1.0 Si Si19 1 0.64162772 0.06455548 0.57726940 1.0 Si Si20 1 0.35837661 0.93543035 0.42275023 1.0 Si Si21 1 0.41881210 0.21186166 0.20740455 1.0