# generated using pymatgen data_CaFeBiO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.59388200 _cell_length_b 11.38383300 _cell_length_c 15.39735200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaFeBiO5 _chemical_formula_sum 'Ca8 Fe8 Bi8 O40' _cell_volume 980.50058089 _cell_formula_units_Z 8 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 0.50620100 0.35946000 0.44938300 1.0 Ca Ca1 1 0.00620100 0.14054000 0.44938300 1.0 Ca Ca2 1 0.00620100 0.64054000 0.05061700 1.0 Ca Ca3 1 0.99379900 0.35946000 0.94938300 1.0 Ca Ca4 1 0.49379900 0.14054000 0.94938300 1.0 Ca Ca5 1 0.99379900 0.85946000 0.55061700 1.0 Ca Ca6 1 0.49379900 0.64054000 0.55061700 1.0 Ca Ca7 1 0.50620100 0.85946000 0.05061700 1.0 Fe Fe8 1 0.97737400 0.40267200 0.59710300 1.0 Fe Fe9 1 0.52262600 0.90267200 0.40289700 1.0 Fe Fe10 1 0.02262600 0.59732800 0.40289700 1.0 Fe Fe11 1 0.47737400 0.09732800 0.59710300 1.0 Fe Fe12 1 0.02262600 0.09732800 0.09710300 1.0 Fe Fe13 1 0.97737400 0.90267200 0.90289700 1.0 Fe Fe14 1 0.52262600 0.40267200 0.09710300 1.0 Fe Fe15 1 0.47737400 0.59732800 0.90289700 1.0 Bi Bi16 1 0.94889500 0.84512000 0.23140200 1.0 Bi Bi17 1 0.05110500 0.15488000 0.76859800 1.0 Bi Bi18 1 0.55110500 0.34512000 0.76859800 1.0 Bi Bi19 1 0.05110500 0.65488000 0.73140200 1.0 Bi Bi20 1 0.44889500 0.15488000 0.26859800 1.0 Bi Bi21 1 0.44889500 0.65488000 0.23140200 1.0 Bi Bi22 1 0.55110500 0.84512000 0.73140200 1.0 Bi Bi23 1 0.94889500 0.34512000 0.26859800 1.0 O O24 1 0.91967000 0.32175400 0.69749100 1.0 O O25 1 0.31027900 0.04545600 0.07392100 1.0 O O26 1 0.18972100 0.54545600 0.92607900 1.0 O O27 1 0.24053200 0.76871000 0.15069000 1.0 O O28 1 0.25946800 0.26871000 0.84931000 1.0 O O29 1 0.91967000 0.82175400 0.80250900 1.0 O O30 1 0.25946800 0.76871000 0.65069000 1.0 O O31 1 0.58033000 0.82175400 0.30250900 1.0 O O32 1 0.31027900 0.54545600 0.42607900 1.0 O O33 1 0.08033000 0.67824600 0.30250900 1.0 O O34 1 0.58033000 0.32175400 0.19749100 1.0 O O35 1 0.64269000 0.18200100 0.52445900 1.0 O O36 1 0.81027900 0.95454400 0.42607900 1.0 O O37 1 0.75946800 0.73129000 0.65069000 1.0 O O38 1 0.17007900 0.02636800 0.87273500 1.0 O O39 1 0.81027900 0.45454400 0.07392100 1.0 O O40 1 0.08033000 0.17824600 0.19749100 1.0 O O41 1 0.74053200 0.23129000 0.34931000 1.0 O O42 1 0.14269000 0.81799900 0.97554100 1.0 O O43 1 0.18972100 0.04545600 0.57392100 1.0 O O44 1 0.35731000 0.81799900 0.47554100 1.0 O O45 1 0.82992100 0.97363200 0.12726500 1.0 O O46 1 0.75946800 0.23129000 0.84931000 1.0 O O47 1 0.67007900 0.97363200 0.62726500 1.0 O O48 1 0.35731000 0.31799900 0.02445900 1.0 O O49 1 0.14269000 0.31799900 0.52445900 1.0 O O50 1 0.68972100 0.45454400 0.57392100 1.0 O O51 1 0.68972100 0.95454400 0.92607900 1.0 O O52 1 0.67007900 0.47363200 0.87273500 1.0 O O53 1 0.85731000 0.68200100 0.47554100 1.0 O O54 1 0.85731000 0.18200100 0.02445900 1.0 O O55 1 0.64269000 0.68200100 0.97554100 1.0 O O56 1 0.82992100 0.47363200 0.37273500 1.0 O O57 1 0.74053200 0.73129000 0.15069000 1.0 O O58 1 0.24053200 0.26871000 0.34931000 1.0 O O59 1 0.17007900 0.52636800 0.62726500 1.0 O O60 1 0.32992100 0.52636800 0.12726500 1.0 O O61 1 0.41967000 0.17824600 0.69749100 1.0 O O62 1 0.32992100 0.02636800 0.37273500 1.0 O O63 1 0.41967000 0.67824600 0.80250900 1.0