# generated using pymatgen data_Ca3Yb2GeBi2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.07755270 _cell_length_b 9.45560139 _cell_length_c 12.94471077 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca3Yb2GeBi2 _chemical_formula_sum 'Ca12 Yb8 Ge4 Bi8' _cell_volume 988.69265344 _cell_formula_units_Z 4 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 0.82606229 0.25000000 0.78625414 1.0 Ca Ca1 1 0.05386367 0.75000000 0.49955491 1.0 Ca Ca2 1 0.34745715 0.25000000 0.69447187 1.0 Ca Ca3 1 0.55386367 0.25000000 0.00044509 1.0 Ca Ca4 1 0.84745715 0.75000000 0.80552813 1.0 Ca Ca5 1 0.32606229 0.75000000 0.71374586 1.0 Ca Ca6 1 0.67393771 0.25000000 0.28625414 1.0 Ca Ca7 1 0.44613633 0.75000000 0.99955491 1.0 Ca Ca8 1 0.94613633 0.25000000 0.50044509 1.0 Ca Ca9 1 0.15254285 0.25000000 0.19447187 1.0 Ca Ca10 1 0.17393771 0.75000000 0.21374586 1.0 Ca Ca11 1 0.65254285 0.75000000 0.30552813 1.0 Yb Yb12 1 0.83328228 0.52369986 0.07715972 1.0 Yb Yb13 1 0.16671772 0.02369986 0.92284028 1.0 Yb Yb14 1 0.33328228 0.47630014 0.42284028 1.0 Yb Yb15 1 0.66671772 0.52369986 0.57715972 1.0 Yb Yb16 1 0.16671772 0.47630014 0.92284028 1.0 Yb Yb17 1 0.83328228 0.97630014 0.07715972 1.0 Yb Yb18 1 0.66671772 0.97630014 0.57715972 1.0 Yb Yb19 1 0.33328228 0.02369986 0.42284028 1.0 Ge Ge20 1 0.44967395 0.75000000 0.49328249 1.0 Ge Ge21 1 0.55032605 0.25000000 0.50671751 1.0 Ge Ge22 1 0.05032605 0.75000000 0.99328249 1.0 Ge Ge23 1 0.94967395 0.25000000 0.00671751 1.0 Bi Bi24 1 0.05007282 0.00508243 0.66945105 1.0 Bi Bi25 1 0.94992718 0.99491757 0.33054895 1.0 Bi Bi26 1 0.05007282 0.49491757 0.66945105 1.0 Bi Bi27 1 0.55007282 0.99491757 0.83054895 1.0 Bi Bi28 1 0.44992718 0.00508243 0.16945105 1.0 Bi Bi29 1 0.44992718 0.49491757 0.16945105 1.0 Bi Bi30 1 0.55007282 0.50508243 0.83054895 1.0 Bi Bi31 1 0.94992718 0.50508243 0.33054895 1.0