# generated using pymatgen data_Ca2Nb2BiO8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.59644551 _cell_length_b 10.59644551 _cell_length_c 5.58391897 _cell_angle_alpha 88.90348164 _cell_angle_beta 88.90348164 _cell_angle_gamma 36.38105876 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Nb2BiO8 _chemical_formula_sum 'Ca4 Nb4 Bi2 O16' _cell_volume 371.82446292 _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 0.87323300 0.55803500 0.75442800 1.0 Ca Ca1 1 0.44196500 0.12676700 0.74557200 1.0 Ca Ca2 1 0.12676700 0.44196500 0.24557200 1.0 Ca Ca3 1 0.55803500 0.87323300 0.25442800 1.0 Nb Nb4 1 0.02780100 0.73168600 0.74223500 1.0 Nb Nb5 1 0.26831400 0.97219900 0.75776500 1.0 Nb Nb6 1 0.97219900 0.26831400 0.25776500 1.0 Nb Nb7 1 0.73168600 0.02780100 0.24223500 1.0 Bi Bi8 1 0.67737300 0.32262700 0.75000000 1.0 Bi Bi9 1 0.32262700 0.67737300 0.25000000 1.0 O O10 1 0.02937600 0.82538800 0.06152400 1.0 O O11 1 0.17461200 0.97062400 0.43847600 1.0 O O12 1 0.97062400 0.17461200 0.93847600 1.0 O O13 1 0.82538800 0.02937600 0.56152400 1.0 O O14 1 0.28980400 0.58229300 0.60705500 1.0 O O15 1 0.41770700 0.71019600 0.89294500 1.0 O O16 1 0.71019600 0.41770700 0.39294500 1.0 O O17 1 0.58229300 0.28980400 0.10705500 1.0 O O18 1 0.89260000 0.73793700 0.47189700 1.0 O O19 1 0.26206300 0.10740000 0.02810300 1.0 O O20 1 0.47448300 0.14756800 0.35219800 1.0 O O21 1 0.85243200 0.52551700 0.14780200 1.0 O O22 1 0.52551700 0.85243200 0.64780200 1.0 O O23 1 0.14756800 0.47448300 0.85219800 1.0 O O24 1 0.73793700 0.89260000 0.97189700 1.0 O O25 1 0.10740000 0.26206300 0.52810300 1.0