# generated using pymatgen data_Nb4VB2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.10211030 _cell_length_b 6.10211047 _cell_length_c 7.18549509 _cell_angle_alpha 115.12618560 _cell_angle_beta 115.12618815 _cell_angle_gamma 89.99999114 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb4VB2P _chemical_formula_sum 'Nb8 V2 B4 P2' _cell_volume 213.94669333 _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 Nb Nb0 1 0.03299858 0.53299858 0.72451475 1.0 Nb Nb1 1 0.69151717 0.19151717 0.72451475 1.0 Nb Nb2 1 0.19151717 0.03299858 0.72451475 1.0 Nb Nb3 1 0.53299858 0.69151717 0.72451475 1.0 Nb Nb4 1 0.96700142 0.46700142 0.27548525 1.0 Nb Nb5 1 0.30848283 0.80848283 0.27548525 1.0 Nb Nb6 1 0.80848283 0.96700142 0.27548525 1.0 Nb Nb7 1 0.46700142 0.30848283 0.27548525 1.0 V V8 1 0.50000000 0.50000000 0.00000000 1.0 V V9 1 0.00000000 0.00000000 0.00000000 1.0 B B10 1 0.38304324 0.88304324 0.00000000 1.0 B B11 1 0.61695676 0.11695676 1.00000000 1.0 B B12 1 0.11695676 0.38304324 0.00000000 1.0 B B13 1 0.88304324 0.61695676 0.00000000 1.0 P P14 1 0.25000000 0.25000000 0.50000000 1.0 P P15 1 0.75000000 0.75000000 0.50000000 1.0