# generated using pymatgen data_Ca2Bi3O8 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97870181 _cell_length_b 6.97870181 _cell_length_c 10.42619500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999821 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Bi3O8 _chemical_formula_sum 'Ca4 Bi6 O16' _cell_volume 439.74991767 _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 0.66666700 0.33333300 0.03026200 1.0 Ca Ca1 1 0.33333300 0.66666700 0.53026200 1.0 Ca Ca2 1 0.66666700 0.33333300 0.39668300 1.0 Ca Ca3 1 0.33333300 0.66666700 0.89668300 1.0 Bi Bi4 1 0.66909900 0.83455000 0.24375500 1.0 Bi Bi5 1 0.83455000 0.16545000 0.74375500 1.0 Bi Bi6 1 0.16545000 0.33090100 0.24375500 1.0 Bi Bi7 1 0.83455000 0.66909900 0.74375500 1.0 Bi Bi8 1 0.33090100 0.16545000 0.74375500 1.0 Bi Bi9 1 0.16545000 0.83455000 0.24375500 1.0 O O10 1 0.83196200 0.16803800 0.15306600 1.0 O O11 1 0.66392300 0.83196200 0.65306600 1.0 O O12 1 0.16803800 0.33607700 0.65306600 1.0 O O13 1 0.83196200 0.66392300 0.15306600 1.0 O O14 1 0.33607700 0.16803800 0.15306600 1.0 O O15 1 0.16803800 0.83196200 0.65306600 1.0 O O16 1 0.52219700 0.47780300 0.86807800 1.0 O O17 1 0.04439400 0.52219700 0.36807800 1.0 O O18 1 0.47780300 0.95560600 0.36807800 1.0 O O19 1 0.52219700 0.04439400 0.86807800 1.0 O O20 1 0.00000000 0.00000000 0.34702200 1.0 O O21 1 0.00000000 0.00000000 0.84702200 1.0 O O22 1 0.33333300 0.66666700 0.12483600 1.0 O O23 1 0.95560600 0.47780300 0.86807800 1.0 O O24 1 0.47780300 0.52219700 0.36807800 1.0 O O25 1 0.66666700 0.33333300 0.62483600 1.0