# generated using pymatgen data_CaLaCrBiO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88113800 _cell_length_b 5.68434500 _cell_length_c 9.90099071 _cell_angle_alpha 55.85029375 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaLaCrBiO6 _chemical_formula_sum 'Ca2 La2 Cr2 Bi2 O12' _cell_volume 273.92212054 _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 0.80659800 0.22882200 0.25259800 1.0 Ca Ca1 1 0.19340200 0.22882200 0.75259800 1.0 La La2 1 0.30595000 0.76801400 0.24909500 1.0 La La3 1 0.69405000 0.76801400 0.74909500 1.0 Cr Cr4 1 0.24905800 0.00051800 0.50044000 1.0 Cr Cr5 1 0.75094200 0.00051800 0.00044000 1.0 Bi Bi6 1 0.24675900 0.50108200 0.99881000 1.0 Bi Bi7 1 0.75324100 0.50108200 0.49881000 1.0 O O8 1 0.79919400 0.34783400 0.76675900 1.0 O O9 1 0.03640300 0.11682900 0.06383700 1.0 O O10 1 0.06185800 0.77713300 0.43842000 1.0 O O11 1 0.56329200 0.22573600 0.06111000 1.0 O O12 1 0.53614100 0.88443700 0.43597100 1.0 O O13 1 0.29429000 0.64959000 0.73296000 1.0 O O14 1 0.20080600 0.34783400 0.26675900 1.0 O O15 1 0.96359700 0.11682900 0.56383700 1.0 O O16 1 0.93814200 0.77713300 0.93842000 1.0 O O17 1 0.43670800 0.22573600 0.56111000 1.0 O O18 1 0.46385900 0.88443700 0.93597100 1.0 O O19 1 0.70571000 0.64959000 0.23296000 1.0