# generated using pymatgen data_Ca5(InBi3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68253826 _cell_length_b 7.60210363 _cell_length_c 23.61282030 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca5(InBi3)2 _chemical_formula_sum 'Ca10 In4 Bi12' _cell_volume 840.54889650 _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 Ca Ca0 1 0.50000000 0.00000000 0.00000000 1.0 Ca Ca1 1 0.50000000 0.77252080 0.24234903 1.0 Ca Ca2 1 0.50000000 0.96987756 0.41013842 1.0 Ca Ca3 1 0.50000000 0.27252080 0.25765097 1.0 Ca Ca4 1 0.50000000 0.46987756 0.08986158 1.0 Ca Ca5 1 0.50000000 0.03012244 0.58986158 1.0 Ca Ca6 1 0.50000000 0.72747920 0.74234903 1.0 Ca Ca7 1 0.50000000 0.50000000 0.50000000 1.0 Ca Ca8 1 0.50000000 0.22747920 0.75765097 1.0 Ca Ca9 1 0.50000000 0.53012244 0.91013842 1.0 In In10 1 0.00000000 0.17384651 0.88151656 1.0 In In11 1 0.00000000 0.82615349 0.11848344 1.0 In In12 1 0.00000000 0.32615349 0.38151656 1.0 In In13 1 0.00000000 0.67384651 0.61848344 1.0 Bi Bi14 1 0.50000000 0.55460068 0.36310092 1.0 Bi Bi15 1 0.00000000 0.70200842 0.99563236 1.0 Bi Bi16 1 0.50000000 0.44539932 0.63689908 1.0 Bi Bi17 1 0.00000000 0.20200842 0.50436764 1.0 Bi Bi18 1 0.00000000 0.29799158 0.00436764 1.0 Bi Bi19 1 0.00000000 0.99435027 0.68932160 1.0 Bi Bi20 1 0.00000000 0.00564973 0.31067840 1.0 Bi Bi21 1 0.00000000 0.79799158 0.49563236 1.0 Bi Bi22 1 0.50000000 0.05460068 0.13689908 1.0 Bi Bi23 1 0.50000000 0.94539932 0.86310092 1.0 Bi Bi24 1 0.00000000 0.49435027 0.81067840 1.0 Bi Bi25 1 0.00000000 0.50564973 0.18932160 1.0