# generated using pymatgen data_NaBiPCO7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97531900 _cell_length_b 5.45206200 _cell_length_c 9.49423535 _cell_angle_alpha 89.00508360 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NaBiPCO7 _chemical_formula_sum 'Na2 Bi2 P2 C2 O14' _cell_volume 361.01011779 _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 Na Na0 1 0.48269100 0.23089900 0.78188100 1.0 Na Na1 1 0.98269100 0.76910100 0.21811900 1.0 Bi Bi2 1 0.76760200 0.78377900 0.63434700 1.0 Bi Bi3 1 0.26760200 0.21622100 0.36565300 1.0 P P4 1 0.26197000 0.72293900 0.58261600 1.0 P P5 1 0.76197000 0.27706100 0.41738400 1.0 C C6 1 0.73283700 0.72627800 0.92609500 1.0 C C7 1 0.23283700 0.27372200 0.07390500 1.0 O O8 1 0.24999600 0.31071700 0.94338700 1.0 O O9 1 0.73364100 0.94217600 0.86604100 1.0 O O10 1 0.71734400 0.53582000 0.84364600 1.0 O O11 1 0.08681600 0.80665100 0.67069700 1.0 O O12 1 0.43593000 0.85137500 0.65163400 1.0 O O13 1 0.74076000 0.18962600 0.57586200 1.0 O O14 1 0.28826300 0.44147200 0.58207700 1.0 O O15 1 0.78826300 0.55852800 0.41792300 1.0 O O16 1 0.24076000 0.81037400 0.42413800 1.0 O O17 1 0.93593000 0.14862500 0.34836600 1.0 O O18 1 0.58681600 0.19334900 0.32930300 1.0 O O19 1 0.21734400 0.46418000 0.15635400 1.0 O O20 1 0.23364100 0.05782400 0.13395900 1.0 O O21 1 0.74999600 0.68928300 0.05661300 1.0