# generated using pymatgen data_ZrSc7(Si4Tc3)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.60519033 _cell_length_b 6.60599371 _cell_length_c 12.34131613 _cell_angle_alpha 90.28558602 _cell_angle_beta 90.16486083 _cell_angle_gamma 90.13102502 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc7(Si4Tc3)4 _chemical_formula_sum 'Zr1 Sc7 Si16 Tc12' _cell_volume 538.48874062 _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 Zr Zr0 1 0.34478527 0.99139937 0.46506544 1.0 Sc Sc1 1 0.00571705 0.65451094 0.03233987 1.0 Sc Sc2 1 0.99942635 0.34136213 0.53075021 1.0 Sc Sc3 1 0.65797603 0.00208431 0.96960307 1.0 Sc Sc4 1 0.15835710 0.49101498 0.78125492 1.0 Sc Sc5 1 0.84435778 0.50685020 0.28165022 1.0 Sc Sc6 1 0.49509886 0.15802385 0.21783264 1.0 Sc Sc7 1 0.50791237 0.84153423 0.71877942 1.0 Si Si8 1 0.02408851 0.72659427 0.43960640 1.0 Si Si9 1 0.97174094 0.27546079 0.93670746 1.0 Si Si10 1 0.72890052 0.02851169 0.56355476 1.0 Si Si11 1 0.22672628 0.47652602 0.18899204 1.0 Si Si12 1 0.78574393 0.52818323 0.68549660 1.0 Si Si13 1 0.46968787 0.21263183 0.81508701 1.0 Si Si14 1 0.52698718 0.77259285 0.30916456 1.0 Si Si15 1 0.27389271 0.97493273 0.06177783 1.0 Si Si16 1 0.87689889 0.80210583 0.81841242 1.0 Si Si17 1 0.11908143 0.19737725 0.31739906 1.0 Si Si18 1 0.80640178 0.88085107 0.18194175 1.0 Si Si19 1 0.30526259 0.62115426 0.56885487 1.0 Si Si20 1 0.69181462 0.38006702 0.06509129 1.0 Si Si21 1 0.62070181 0.30938255 0.43545160 1.0 Si Si22 1 0.37565795 0.69309628 0.93218593 1.0 Si Si23 1 0.19588305 0.12054966 0.68162053 1.0 Tc Tc24 1 0.31433961 0.48327259 0.38474766 1.0 Tc Tc25 1 0.81182621 0.02470662 0.36740131 1.0 Tc Tc26 1 0.97646183 0.18811504 0.13223693 1.0 Tc Tc27 1 0.02429437 0.81247221 0.63493273 1.0 Tc Tc28 1 0.67228673 0.51410972 0.87574498 1.0 Tc Tc29 1 0.48310958 0.32568006 0.62497734 1.0 Tc Tc30 1 0.52058089 0.68676200 0.11495250 1.0 Tc Tc31 1 0.18191339 0.97537700 0.86731193 1.0 Tc Tc32 1 0.66913093 0.67304360 0.49946526 1.0 Tc Tc33 1 0.83400773 0.16620757 0.74954820 1.0 Tc Tc34 1 0.16944236 0.83324959 0.24961246 1.0 Tc Tc35 1 0.32950450 0.33020965 0.00045077 1.0