# generated using pymatgen data_Nd6Al43Mo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 11.10450438 _cell_length_b 11.10450438 _cell_length_c 17.82631400 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000227 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd6Al43Mo4 _chemical_formula_sum 'Nd12 Al86 Mo8' _cell_volume 1903.66503585 _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 Nd Nd0 1 0.47029100 0.47029100 0.90486100 1.0 Nd Nd1 1 0.52970900 0.00000000 0.90486100 1.0 Nd Nd2 1 0.00000000 0.52970900 0.90486100 1.0 Nd Nd3 1 0.52970900 0.52970900 0.09513900 1.0 Nd Nd4 1 0.47029100 0.00000000 0.09513900 1.0 Nd Nd5 1 0.00000000 0.47029100 0.09513900 1.0 Nd Nd6 1 0.52970900 0.52970900 0.40486100 1.0 Nd Nd7 1 0.47029100 0.00000000 0.40486100 1.0 Nd Nd8 1 0.00000000 0.47029100 0.40486100 1.0 Nd Nd9 1 0.47029100 0.47029100 0.59513900 1.0 Nd Nd10 1 0.52970900 0.00000000 0.59513900 1.0 Nd Nd11 1 0.00000000 0.52970900 0.59513900 1.0 Al Al12 1 0.84180000 0.23451800 0.83494900 1.0 Al Al13 1 0.76548200 0.60728200 0.83494900 1.0 Al Al14 1 0.39271800 0.15820000 0.83494900 1.0 Al Al15 1 0.23451800 0.84180000 0.83494900 1.0 Al Al16 1 0.60728200 0.76548200 0.83494900 1.0 Al Al17 1 0.15820000 0.39271800 0.83494900 1.0 Al Al18 1 0.15820000 0.76548200 0.16505100 1.0 Al Al19 1 0.23451800 0.39271800 0.16505100 1.0 Al Al20 1 0.60728200 0.84180000 0.16505100 1.0 Al Al21 1 0.76548200 0.15820000 0.16505100 1.0 Al Al22 1 0.39271800 0.23451800 0.16505100 1.0 Al Al23 1 0.84180000 0.60728200 0.16505100 1.0 Al Al24 1 0.15820000 0.76548200 0.33494900 1.0 Al Al25 1 0.23451800 0.39271800 0.33494900 1.0 Al Al26 1 0.60728200 0.84180000 0.33494900 1.0 Al Al27 1 0.76548200 0.15820000 0.33494900 1.0 Al Al28 1 0.39271800 0.23451800 0.33494900 1.0 Al Al29 1 0.84180000 0.60728200 0.33494900 1.0 Al Al30 1 0.84180000 0.23451800 0.66505100 1.0 Al Al31 1 0.76548200 0.60728200 0.66505100 1.0 Al Al32 1 0.39271800 0.15820000 0.66505100 1.0 Al Al33 1 0.23451800 0.84180000 0.66505100 1.0 Al Al34 1 0.60728200 0.76548200 0.66505100 1.0 Al Al35 1 0.15820000 0.39271800 0.66505100 1.0 Al Al36 1 0.84301600 0.84301600 0.38429300 1.0 Al Al37 1 0.15698400 0.00000000 0.38429300 1.0 Al Al38 1 0.00000000 0.15698400 0.38429300 1.0 Al Al39 1 0.15698400 0.15698400 0.61570700 1.0 Al Al40 1 0.84301600 0.00000000 0.61570700 1.0 Al Al41 1 0.00000000 0.84301600 0.61570700 1.0 Al Al42 1 0.15698400 0.15698400 0.88429300 1.0 Al Al43 1 0.84301600 0.00000000 0.88429300 1.0 Al Al44 1 0.00000000 0.84301600 0.88429300 1.0 Al Al45 1 0.84301600 0.84301600 0.11570700 1.0 Al Al46 1 0.15698400 0.00000000 0.11570700 1.0 Al Al47 1 0.00000000 0.15698400 0.11570700 1.0 Al Al48 1 0.74945500 0.74945500 0.96865800 1.0 Al Al49 1 0.25054500 0.00000000 0.96865800 1.0 Al Al50 1 0.00000000 0.25054500 0.96865800 1.0 Al Al51 1 0.25054500 0.25054500 0.03134200 1.0 Al Al52 1 0.74945500 0.00000000 0.03134200 1.0 Al Al53 1 0.00000000 0.74945500 0.03134200 1.0 Al Al54 1 0.25054500 0.25054500 0.46865800 1.0 Al Al55 1 0.74945500 0.00000000 0.46865800 1.0 Al Al56 1 0.00000000 0.74945500 0.46865800 1.0 Al Al57 1 0.74945500 0.74945500 0.53134200 1.0 Al Al58 1 0.25054500 0.00000000 0.53134200 1.0 Al Al59 1 0.00000000 0.25054500 0.53134200 1.0 Al Al60 1 0.85203600 0.44865800 0.75000000 1.0 Al Al61 1 0.55134200 0.40337800 0.75000000 1.0 Al Al62 1 0.59662200 0.14796400 0.75000000 1.0 Al Al63 1 0.44865800 0.85203600 0.75000000 1.0 Al Al64 1 0.40337800 0.55134200 0.75000000 1.0 Al Al65 1 0.14796400 0.59662200 0.75000000 1.0 Al Al66 1 0.14796400 0.55134200 0.25000000 1.0 Al Al67 1 0.44865800 0.59662200 0.25000000 1.0 Al Al68 1 0.40337800 0.85203600 0.25000000 1.0 Al Al69 1 0.55134200 0.14796400 0.25000000 1.0 Al Al70 1 0.59662200 0.44865800 0.25000000 1.0 Al Al71 1 0.85203600 0.40337800 0.25000000 1.0 Al Al72 1 0.75296500 0.24703500 0.00000000 1.0 Al Al73 1 0.75296500 0.50593000 0.00000000 1.0 Al Al74 1 0.49407000 0.24703500 0.00000000 1.0 Al Al75 1 0.24703500 0.75296500 0.00000000 1.0 Al Al76 1 0.50593000 0.75296500 0.00000000 1.0 Al Al77 1 0.24703500 0.49407000 0.00000000 1.0 Al Al78 1 0.24703500 0.75296500 0.50000000 1.0 Al Al79 1 0.24703500 0.49407000 0.50000000 1.0 Al Al80 1 0.50593000 0.75296500 0.50000000 1.0 Al Al81 1 0.75296500 0.24703500 0.50000000 1.0 Al Al82 1 0.49407000 0.24703500 0.50000000 1.0 Al Al83 1 0.75296500 0.50593000 0.50000000 1.0 Al Al84 1 0.66666700 0.33333300 0.87276400 1.0 Al Al85 1 0.33333300 0.66666700 0.87276400 1.0 Al Al86 1 0.33333300 0.66666700 0.12723600 1.0 Al Al87 1 0.66666700 0.33333300 0.12723600 1.0 Al Al88 1 0.33333300 0.66666700 0.37276400 1.0 Al Al89 1 0.66666700 0.33333300 0.37276400 1.0 Al Al90 1 0.66666700 0.33333300 0.62723600 1.0 Al Al91 1 0.33333300 0.66666700 0.62723600 1.0 Al Al92 1 0.85412900 0.85412900 0.75000000 1.0 Al Al93 1 0.14587100 0.00000000 0.75000000 1.0 Al Al94 1 0.00000000 0.14587100 0.75000000 1.0 Al Al95 1 0.14587100 0.14587100 0.25000000 1.0 Al Al96 1 0.85412900 0.00000000 0.25000000 1.0 Al Al97 1 0.00000000 0.85412900 0.25000000 1.0 Mo Mo98 1 0.26857000 0.26857000 0.75000000 1.0 Mo Mo99 1 0.73143000 0.00000000 0.75000000 1.0 Mo Mo100 1 0.00000000 0.73143000 0.75000000 1.0 Mo Mo101 1 0.73143000 0.73143000 0.25000000 1.0 Mo Mo102 1 0.26857000 0.00000000 0.25000000 1.0 Mo Mo103 1 0.00000000 0.26857000 0.25000000 1.0 Mo Mo104 1 0.00000000 0.00000000 0.00000000 1.0 Mo Mo105 1 0.00000000 0.00000000 0.50000000 1.0