# generated using pymatgen data_ZrNbV _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.40862284 _cell_length_b 5.40768968 _cell_length_c 8.69585900 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 60.76481155 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrNbV _chemical_formula_sum 'Zr4 Nb4 V4' _cell_volume 221.94085338 _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 Zr Zr0 1 0.33314800 0.33315600 0.55737100 1.0 Zr Zr1 1 0.66730900 0.66731000 0.42957700 1.0 Zr Zr2 1 0.66730900 0.66731000 0.07042300 1.0 Zr Zr3 1 0.33314800 0.33315600 0.94262900 1.0 Nb Nb4 1 0.99761400 0.99754100 0.48723700 1.0 Nb Nb5 1 0.99761400 0.99754100 0.01276300 1.0 Nb Nb6 1 0.82920200 0.34442600 0.75000000 1.0 Nb Nb7 1 0.34444800 0.82919600 0.75000000 1.0 V V8 1 0.83076500 0.83078900 0.75000000 1.0 V V9 1 0.17675400 0.64637200 0.25000000 1.0 V V10 1 0.64633500 0.17680100 0.25000000 1.0 V V11 1 0.17635500 0.17640100 0.25000000 1.0