# generated using pymatgen data_Na6V2B4PO16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.92274036 _cell_length_b 9.92274036 _cell_length_c 9.92274036 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na6V2B4PO16 _chemical_formula_sum 'Na12 V4 B8 P2 O32' _cell_volume 690.84383423 _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 0.29016100 0.70983900 0.70983900 1.0 Na Na1 1 0.95983900 0.95983900 0.54016100 1.0 Na Na2 1 0.70983900 0.29016100 0.70983900 1.0 Na Na3 1 0.29016100 0.70983900 0.29016100 1.0 Na Na4 1 0.54016100 0.95983900 0.95983900 1.0 Na Na5 1 0.54016100 0.54016100 0.95983900 1.0 Na Na6 1 0.70983900 0.29016100 0.29016100 1.0 Na Na7 1 0.70983900 0.70983900 0.29016100 1.0 Na Na8 1 0.54016100 0.95983900 0.54016100 1.0 Na Na9 1 0.95983900 0.54016100 0.95983900 1.0 Na Na10 1 0.29016100 0.29016100 0.70983900 1.0 Na Na11 1 0.95983900 0.54016100 0.54016100 1.0 V V12 1 0.62500000 0.12500000 0.12500000 1.0 V V13 1 0.12500000 0.62500000 0.12500000 1.0 V V14 1 0.12500000 0.12500000 0.62500000 1.0 V V15 1 0.12500000 0.12500000 0.12500000 1.0 B B16 1 0.25752900 0.91415700 0.91415700 1.0 B B17 1 0.91415700 0.25752900 0.91415700 1.0 B B18 1 0.91415700 0.91415700 0.91415700 1.0 B B19 1 0.91415700 0.91415700 0.25752900 1.0 B B20 1 0.33584300 0.33584300 0.99247100 1.0 B B21 1 0.33584300 0.33584300 0.33584300 1.0 B B22 1 0.33584300 0.99247100 0.33584300 1.0 B B23 1 0.99247100 0.33584300 0.33584300 1.0 P P24 1 0.50000000 0.50000000 0.50000000 1.0 P P25 1 0.75000000 0.75000000 0.75000000 1.0 O O26 1 0.21983900 0.98838300 0.49099100 1.0 O O27 1 0.98838300 0.21983900 0.30078700 1.0 O O28 1 0.26161700 0.94921300 0.75900900 1.0 O O29 1 0.26161700 0.75900900 0.03016100 1.0 O O30 1 0.56401000 0.56401000 0.30797100 1.0 O O31 1 0.94921300 0.03016100 0.75900900 1.0 O O32 1 0.03016100 0.75900900 0.94921300 1.0 O O33 1 0.56401000 0.56401000 0.56401000 1.0 O O34 1 0.56401000 0.30797100 0.56401000 1.0 O O35 1 0.94921300 0.26161700 0.03016100 1.0 O O36 1 0.75900900 0.26161700 0.94921300 1.0 O O37 1 0.30797100 0.56401000 0.56401000 1.0 O O38 1 0.03016100 0.94921300 0.26161700 1.0 O O39 1 0.75900900 0.94921300 0.03016100 1.0 O O40 1 0.94921300 0.75900900 0.26161700 1.0 O O41 1 0.49099100 0.21983900 0.98838300 1.0 O O42 1 0.75900900 0.03016100 0.26161700 1.0 O O43 1 0.30078700 0.49099100 0.98838300 1.0 O O44 1 0.49099100 0.30078700 0.21983900 1.0 O O45 1 0.21983900 0.30078700 0.98838300 1.0 O O46 1 0.94202900 0.68599000 0.68599000 1.0 O O47 1 0.49099100 0.98838300 0.30078700 1.0 O O48 1 0.30078700 0.98838300 0.21983900 1.0 O O49 1 0.68599000 0.94202900 0.68599000 1.0 O O50 1 0.68599000 0.68599000 0.68599000 1.0 O O51 1 0.21983900 0.49099100 0.30078700 1.0 O O52 1 0.30078700 0.21983900 0.49099100 1.0 O O53 1 0.68599000 0.68599000 0.94202900 1.0 O O54 1 0.98838300 0.49099100 0.21983900 1.0 O O55 1 0.98838300 0.30078700 0.49099100 1.0 O O56 1 0.26161700 0.03016100 0.94921300 1.0 O O57 1 0.03016100 0.26161700 0.75900900 1.0