# generated using pymatgen data_Nb12Al11V2Cu11 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.64830175 _cell_length_b 8.63373203 _cell_length_c 8.18813163 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.21093464 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nb12Al11V2Cu11 _chemical_formula_sum 'Nb12 Al11 V2 Cu11' _cell_volume 528.34526153 _cell_formula_units_Z 1 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 0.32673583 0.99730339 0.06186609 1.0 Nb Nb1 1 0.67103823 0.00057178 0.93852670 1.0 Nb Nb2 1 0.99945851 0.32813778 0.05933707 1.0 Nb Nb3 1 0.67103823 0.00057178 0.56147330 1.0 Nb Nb4 1 0.99945851 0.32813778 0.44066293 1.0 Nb Nb5 1 0.00151176 0.67104095 0.93875973 1.0 Nb Nb6 1 0.32673583 0.99730339 0.43813391 1.0 Nb Nb7 1 0.00151176 0.67104095 0.56124027 1.0 Nb Nb8 1 0.67034722 0.66986453 0.06129447 1.0 Nb Nb9 1 0.32989142 0.32836654 0.93847808 1.0 Nb Nb10 1 0.32989142 0.32836654 0.56152192 1.0 Nb Nb11 1 0.67034722 0.66986453 0.43870553 1.0 Al Al12 1 0.15871020 0.65431959 0.25000000 1.0 Al Al13 1 0.33957861 0.66634113 0.50684705 1.0 Al Al14 1 0.66641457 0.33278465 0.49946206 1.0 Al Al15 1 0.66641457 0.33278465 0.00053794 1.0 Al Al16 1 0.33957861 0.66634113 0.99315295 1.0 Al Al17 1 0.18335206 0.00003231 0.75000000 1.0 Al Al18 1 0.81536290 0.00086552 0.25000000 1.0 Al Al19 1 0.00070442 0.18379933 0.75000000 1.0 Al Al20 1 0.99202488 0.82154411 0.25000000 1.0 Al Al21 1 0.81848260 0.81737503 0.75000000 1.0 Al Al22 1 0.18295506 0.18429877 0.25000000 1.0 V V23 1 0.00063007 0.00313437 0.50085424 1.0 V V24 1 0.00063007 0.00313437 0.99914576 1.0 Cu Cu25 1 0.16251277 0.50224904 0.75000000 1.0 Cu Cu26 1 0.83498895 0.49922336 0.25000000 1.0 Cu Cu27 1 0.50036220 0.65960071 0.75000000 1.0 Cu Cu28 1 0.50267380 0.16306883 0.75000000 1.0 Cu Cu29 1 0.50079819 0.33901670 0.25000000 1.0 Cu Cu30 1 0.49618980 0.83650942 0.25000000 1.0 Cu Cu31 1 0.34073612 0.83855192 0.75000000 1.0 Cu Cu32 1 0.66214001 0.49761600 0.75000000 1.0 Cu Cu33 1 0.65980369 0.16316353 0.25000000 1.0 Cu Cu34 1 0.33974768 0.50410153 0.25000000 1.0 Cu Cu35 1 0.83724125 0.33957705 0.75000000 1.0