# generated using pymatgen data_CaCu2(BiO4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.10796800 _cell_length_b 6.70452200 _cell_length_c 13.52471502 _cell_angle_alpha 89.14381347 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaCu2(BiO4)2 _chemical_formula_sum 'Ca4 Cu8 Bi8 O32' _cell_volume 825.78872311 _cell_formula_units_Z 4 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 0.15932100 0.11977100 0.04027500 1.0 Ca Ca1 1 0.84067900 0.88022900 0.95972500 1.0 Ca Ca2 1 0.65932100 0.88022900 0.45972500 1.0 Ca Ca3 1 0.34067900 0.11977100 0.54027500 1.0 Cu Cu4 1 0.19147000 0.74713400 0.88149100 1.0 Cu Cu5 1 0.05051700 0.37550100 0.61694700 1.0 Cu Cu6 1 0.94948300 0.62449900 0.38305300 1.0 Cu Cu7 1 0.80853000 0.25286600 0.11850900 1.0 Cu Cu8 1 0.30853000 0.74713400 0.38149100 1.0 Cu Cu9 1 0.44948300 0.37550100 0.11694700 1.0 Cu Cu10 1 0.69147000 0.25286600 0.61850900 1.0 Cu Cu11 1 0.55051700 0.62449900 0.88305300 1.0 Bi Bi12 1 0.44945800 0.10032800 0.83541900 1.0 Bi Bi13 1 0.05054200 0.10032800 0.33541900 1.0 Bi Bi14 1 0.09461000 0.61213400 0.14328900 1.0 Bi Bi15 1 0.94945800 0.89967200 0.66458100 1.0 Bi Bi16 1 0.90539000 0.38786600 0.85671100 1.0 Bi Bi17 1 0.59461000 0.38786600 0.35671100 1.0 Bi Bi18 1 0.40539000 0.61213400 0.64328900 1.0 Bi Bi19 1 0.55054200 0.89967200 0.16458100 1.0 O O20 1 0.25782900 0.01850500 0.38702200 1.0 O O21 1 0.01378000 0.64514500 0.58882900 1.0 O O22 1 0.58109700 0.20894900 0.49094500 1.0 O O23 1 0.08109700 0.79105100 0.00905500 1.0 O O24 1 0.24217100 0.01850500 0.88702200 1.0 O O25 1 0.74217100 0.98149500 0.61297800 1.0 O O26 1 0.10055600 0.10387500 0.60617600 1.0 O O27 1 0.87670200 0.50833100 0.13797400 1.0 O O28 1 0.62329800 0.50833100 0.63797400 1.0 O O29 1 0.87469600 0.30697000 0.68459000 1.0 O O30 1 0.37469600 0.69303000 0.81541000 1.0 O O31 1 0.12329800 0.49166900 0.86202600 1.0 O O32 1 0.89944400 0.89612500 0.39382400 1.0 O O33 1 0.52055600 0.86420400 0.31275300 1.0 O O34 1 0.24780000 0.41724900 0.58492400 1.0 O O35 1 0.25220000 0.41724900 0.08492400 1.0 O O36 1 0.02055600 0.13579600 0.18724700 1.0 O O37 1 0.37670200 0.49166900 0.36202600 1.0 O O38 1 0.47944400 0.13579600 0.68724700 1.0 O O39 1 0.41890300 0.79105100 0.50905500 1.0 O O40 1 0.48622000 0.64514500 0.08882900 1.0 O O41 1 0.12530400 0.69303000 0.31541000 1.0 O O42 1 0.75782900 0.98149500 0.11297800 1.0 O O43 1 0.39944400 0.10387500 0.10617600 1.0 O O44 1 0.91890300 0.20894900 0.99094500 1.0 O O45 1 0.74780000 0.58275100 0.91507600 1.0 O O46 1 0.98622000 0.35485500 0.41117100 1.0 O O47 1 0.51378000 0.35485500 0.91117100 1.0 O O48 1 0.60055600 0.89612500 0.89382400 1.0 O O49 1 0.75220000 0.58275100 0.41507600 1.0 O O50 1 0.62530400 0.30697000 0.18459000 1.0 O O51 1 0.97944400 0.86420400 0.81275300 1.0