# generated using pymatgen data_Na6Bi2B4PO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 10.25301297 _cell_length_b 10.25301297 _cell_length_c 10.25301297 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na6Bi2B4PO16 _chemical_formula_sum 'Na12 Bi4 B8 P2 O32' _cell_volume 762.14836565 _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 0.70320400 0.70320400 0.29679600 1.0 Na Na1 1 0.95320400 0.95320400 0.54679600 1.0 Na Na2 1 0.29679600 0.70320400 0.70320400 1.0 Na Na3 1 0.70320400 0.29679600 0.29679600 1.0 Na Na4 1 0.95320400 0.54679600 0.95320400 1.0 Na Na5 1 0.54679600 0.95320400 0.54679600 1.0 Na Na6 1 0.29679600 0.70320400 0.29679600 1.0 Na Na7 1 0.70320400 0.29679600 0.70320400 1.0 Na Na8 1 0.54679600 0.95320400 0.95320400 1.0 Na Na9 1 0.54679600 0.54679600 0.95320400 1.0 Na Na10 1 0.95320400 0.54679600 0.54679600 1.0 Na Na11 1 0.29679600 0.29679600 0.70320400 1.0 Bi Bi12 1 0.62500000 0.12500000 0.12500000 1.0 Bi Bi13 1 0.12500000 0.62500000 0.12500000 1.0 Bi Bi14 1 0.12500000 0.12500000 0.12500000 1.0 Bi Bi15 1 0.12500000 0.12500000 0.62500000 1.0 B B16 1 0.34525600 0.96423200 0.34525600 1.0 B B17 1 0.90474400 0.90474400 0.90474400 1.0 B B18 1 0.28576800 0.90474400 0.90474400 1.0 B B19 1 0.34525600 0.34525600 0.96423200 1.0 B B20 1 0.96423200 0.34525600 0.34525600 1.0 B B21 1 0.90474400 0.90474400 0.28576800 1.0 B B22 1 0.90474400 0.28576800 0.90474400 1.0 B B23 1 0.34525600 0.34525600 0.34525600 1.0 P P24 1 0.75000000 0.75000000 0.75000000 1.0 P P25 1 0.50000000 0.50000000 0.50000000 1.0 O O26 1 0.68795000 0.68795000 0.68795000 1.0 O O27 1 0.93615100 0.68795000 0.68795000 1.0 O O28 1 0.68795000 0.68795000 0.93615100 1.0 O O29 1 0.68795000 0.93615100 0.68795000 1.0 O O30 1 0.91715100 0.03224000 0.28827600 1.0 O O31 1 0.76233300 0.28827600 0.03224000 1.0 O O32 1 0.91715100 0.76233300 0.03224000 1.0 O O33 1 0.21776000 0.96172400 0.33284900 1.0 O O34 1 0.03224000 0.91715100 0.76233300 1.0 O O35 1 0.28827600 0.76233300 0.91715100 1.0 O O36 1 0.76233300 0.03224000 0.91715100 1.0 O O37 1 0.33284900 0.96172400 0.48766700 1.0 O O38 1 0.96172400 0.33284900 0.21776000 1.0 O O39 1 0.03224000 0.76233300 0.28827600 1.0 O O40 1 0.96172400 0.21776000 0.48766700 1.0 O O41 1 0.76233300 0.91715100 0.28827600 1.0 O O42 1 0.28827600 0.03224000 0.76233300 1.0 O O43 1 0.48766700 0.33284900 0.96172400 1.0 O O44 1 0.28827600 0.91715100 0.03223900 1.0 O O45 1 0.21776100 0.48766700 0.96172400 1.0 O O46 1 0.91715100 0.28827600 0.76233300 1.0 O O47 1 0.48766700 0.21776100 0.33284900 1.0 O O48 1 0.96172400 0.48766700 0.33284900 1.0 O O49 1 0.21776100 0.33284900 0.48766700 1.0 O O50 1 0.33284900 0.48766700 0.21776000 1.0 O O51 1 0.03223900 0.28827600 0.91715100 1.0 O O52 1 0.48766700 0.96172400 0.21776000 1.0 O O53 1 0.33284900 0.21776000 0.96172400 1.0 O O54 1 0.56205000 0.31384900 0.56205000 1.0 O O55 1 0.31384900 0.56205000 0.56205000 1.0 O O56 1 0.56205000 0.56205000 0.31384900 1.0 O O57 1 0.56205000 0.56205000 0.56205000 1.0