# generated using pymatgen data_Cr3BiNO12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93124700 _cell_length_b 7.28698337 _cell_length_c 11.15210182 _cell_angle_alpha 98.75592864 _cell_angle_beta 93.90938031 _cell_angle_gamma 96.16038119 _symmetry_Int_Tables_number 1 _chemical_formula_structural Cr3BiNO12 _chemical_formula_sum 'Cr6 Bi2 N2 O24' _cell_volume 551.43886481 _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 Cr Cr0 1 0.83867000 0.75498800 0.96175500 1.0 Cr Cr1 1 0.16133000 0.24501200 0.03824500 1.0 Cr Cr2 1 0.35111800 0.52235100 0.74591800 1.0 Cr Cr3 1 0.64888200 0.47764900 0.25408200 1.0 Cr Cr4 1 0.60071500 0.81319900 0.61274500 1.0 Cr Cr5 1 0.39928500 0.18680100 0.38725500 1.0 Bi Bi6 1 0.36744700 0.79002400 0.07839900 1.0 Bi Bi7 1 0.63255300 0.20997600 0.92160100 1.0 N N8 1 0.87335900 0.98671700 0.32568100 1.0 N N9 1 0.12664100 0.01328300 0.67431900 1.0 O O10 1 0.91689700 0.78252800 0.83312800 1.0 O O11 1 0.08310300 0.21747200 0.16687200 1.0 O O12 1 0.03295800 0.78733600 0.06609400 1.0 O O13 1 0.96704200 0.21266400 0.93390600 1.0 O O14 1 0.67317600 0.91543100 0.99766200 1.0 O O15 1 0.32682400 0.08456900 0.00233800 1.0 O O16 1 0.71829100 0.54199400 0.95135500 1.0 O O17 1 0.28170900 0.45800600 0.04864500 1.0 O O18 1 0.61872500 0.68180400 0.20840400 1.0 O O19 1 0.38127500 0.31819600 0.79159600 1.0 O O20 1 0.83803500 0.50400100 0.34726800 1.0 O O21 1 0.16196500 0.49599900 0.65273200 1.0 O O22 1 0.67704900 0.31398500 0.13732100 1.0 O O23 1 0.32295100 0.68601500 0.86267900 1.0 O O24 1 0.44124800 0.39890300 0.32693900 1.0 O O25 1 0.55875200 0.60109700 0.67306100 1.0 O O26 1 0.60638300 0.99803400 0.72999700 1.0 O O27 1 0.39361700 0.00196600 0.27000300 1.0 O O28 1 0.79920300 0.82195800 0.54493300 1.0 O O29 1 0.20079700 0.17804200 0.45506700 1.0 O O30 1 0.58020400 0.18536600 0.48478600 1.0 O O31 1 0.41979600 0.81463400 0.51521400 1.0 O O32 1 0.77920700 0.24770900 0.73971100 1.0 O O33 1 0.22079300 0.75229100 0.26028900 1.0