# generated using pymatgen data_Li5Ca7Sn11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.87102787 _cell_length_b 8.87102787 _cell_length_c 32.03243700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 149.75636407 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li5Ca7Sn11 _chemical_formula_sum 'Li10 Ca14 Sn22' _cell_volume 1269.67003737 _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 Li Li0 1 0.29166200 0.70833800 0.52791800 1.0 Li Li1 1 0.70833800 0.29166200 0.02791800 1.0 Li Li2 1 0.34215800 0.65784200 0.25000000 1.0 Li Li3 1 0.65784200 0.34215800 0.75000000 1.0 Li Li4 1 0.70833800 0.29166200 0.47208200 1.0 Li Li5 1 0.21160000 0.78840000 0.61644000 1.0 Li Li6 1 0.29166200 0.70833800 0.97208200 1.0 Li Li7 1 0.78840000 0.21160000 0.38356000 1.0 Li Li8 1 0.78840000 0.21160000 0.11644000 1.0 Li Li9 1 0.21160000 0.78840000 0.88356000 1.0 Ca Ca10 1 0.89356400 0.10643600 0.89881800 1.0 Ca Ca11 1 0.10643600 0.89356400 0.10118200 1.0 Ca Ca12 1 0.95440000 0.04560000 0.31650400 1.0 Ca Ca13 1 0.04560000 0.95440000 0.68349600 1.0 Ca Ca14 1 0.09663100 0.90336900 0.53018100 1.0 Ca Ca15 1 0.90336900 0.09663100 0.46981900 1.0 Ca Ca16 1 0.10643600 0.89356400 0.39881800 1.0 Ca Ca17 1 0.14877300 0.85122700 0.25000000 1.0 Ca Ca18 1 0.09663100 0.90336900 0.96981900 1.0 Ca Ca19 1 0.90336900 0.09663100 0.03018100 1.0 Ca Ca20 1 0.04560000 0.95440000 0.81650400 1.0 Ca Ca21 1 0.85122700 0.14877300 0.75000000 1.0 Ca Ca22 1 0.95440000 0.04560000 0.18349600 1.0 Ca Ca23 1 0.89356400 0.10643600 0.60118200 1.0 Sn Sn24 1 0.76933800 0.23066200 0.29443000 1.0 Sn Sn25 1 0.60851500 0.39148500 0.32519700 1.0 Sn Sn26 1 0.60851500 0.39148500 0.17480300 1.0 Sn Sn27 1 0.42867000 0.57133000 0.10789700 1.0 Sn Sn28 1 0.72057900 0.27942100 0.56163300 1.0 Sn Sn29 1 0.54527300 0.45472700 0.46153900 1.0 Sn Sn30 1 0.39148500 0.60851500 0.67480300 1.0 Sn Sn31 1 0.45472700 0.54527300 0.96153900 1.0 Sn Sn32 1 0.23066200 0.76933800 0.79443000 1.0 Sn Sn33 1 0.57133000 0.42867000 0.60789700 1.0 Sn Sn34 1 0.72057900 0.27942100 0.93836700 1.0 Sn Sn35 1 0.42867000 0.57133000 0.39210300 1.0 Sn Sn36 1 0.49048800 0.50951200 0.75000000 1.0 Sn Sn37 1 0.57133000 0.42867000 0.89210300 1.0 Sn Sn38 1 0.23066200 0.76933800 0.70557000 1.0 Sn Sn39 1 0.54527300 0.45472700 0.03846100 1.0 Sn Sn40 1 0.76933800 0.23066200 0.20557000 1.0 Sn Sn41 1 0.45472700 0.54527300 0.53846100 1.0 Sn Sn42 1 0.27942100 0.72057900 0.43836700 1.0 Sn Sn43 1 0.39148500 0.60851500 0.82519700 1.0 Sn Sn44 1 0.27942100 0.72057900 0.06163300 1.0 Sn Sn45 1 0.50951200 0.49048800 0.25000000 1.0