# generated using pymatgen data_Ca19Cd8N7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.40926553 _cell_length_b 10.40926594 _cell_length_c 10.40926588 _cell_angle_alpha 59.99999706 _cell_angle_beta 59.99999576 _cell_angle_gamma 59.99999667 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca19Cd8N7 _chemical_formula_sum 'Ca19 Cd8 N7' _cell_volume 797.52675350 _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 Ca Ca0 1 0.17433810 0.50000000 0.82566190 1.0 Ca Ca1 1 0.50000000 0.82566190 0.17433810 1.0 Ca Ca2 1 0.82566190 0.17433810 0.50000000 1.0 Ca Ca3 1 0.16537634 0.83462366 0.16537634 1.0 Ca Ca4 1 0.82566190 0.50000000 0.17433810 1.0 Ca Ca5 1 0.17433810 0.82566190 0.50000000 1.0 Ca Ca6 1 0.16537634 0.16537634 0.83462366 1.0 Ca Ca7 1 0.17433810 0.50000000 0.50000000 1.0 Ca Ca8 1 0.83462366 0.83462366 0.16537634 1.0 Ca Ca9 1 0.83462366 0.16537634 0.83462366 1.0 Ca Ca10 1 0.50000000 0.82566190 0.50000000 1.0 Ca Ca11 1 0.50000000 0.50000000 0.50000000 1.0 Ca Ca12 1 0.50000000 0.50000000 0.17433810 1.0 Ca Ca13 1 0.16537634 0.83462366 0.83462366 1.0 Ca Ca14 1 0.50000000 0.17433810 0.82566190 1.0 Ca Ca15 1 0.50000000 0.17433810 0.50000000 1.0 Ca Ca16 1 0.82566190 0.50000000 0.50000000 1.0 Ca Ca17 1 0.83462366 0.16537634 0.16537634 1.0 Ca Ca18 1 0.50000000 0.50000000 0.82566190 1.0 Cd Cd19 1 0.17546835 0.17546835 0.47359395 1.0 Cd Cd20 1 0.82453165 0.52640605 0.82453165 1.0 Cd Cd21 1 0.47359395 0.17546835 0.17546835 1.0 Cd Cd22 1 0.17546835 0.47359395 0.17546835 1.0 Cd Cd23 1 0.52640605 0.82453165 0.82453165 1.0 Cd Cd24 1 0.17546835 0.17546835 0.17546835 1.0 Cd Cd25 1 0.82453165 0.82453165 0.82453165 1.0 Cd Cd26 1 0.82453165 0.82453165 0.52640605 1.0 N N27 1 0.67350526 0.32649474 0.67350526 1.0 N N28 1 0.67350526 0.32649474 0.32649474 1.0 N N29 1 0.32649474 0.67350526 0.67350526 1.0 N N30 1 0.32649474 0.67350526 0.32649474 1.0 N N31 1 0.32649474 0.32649474 0.67350526 1.0 N N32 1 0.67350526 0.67350526 0.32649474 1.0 N N33 1 0.00000000 0.00000000 0.00000000 1.0