# generated using pymatgen data_Nd(Cu2P)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.86133202 _cell_length_b 10.95811599 _cell_length_c 14.56931029 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd(Cu2P)2 _chemical_formula_sum 'Nd6 Cu24 P12' _cell_volume 616.47012123 _cell_formula_units_Z 6 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 0.50000000 0.37720157 0.22598925 1.0 Nd Nd1 1 0.50000000 0.62279843 0.77401075 1.0 Nd Nd2 1 -0.00000000 0.87720157 0.27401075 1.0 Nd Nd3 1 -0.00000000 0.12279843 0.72598925 1.0 Nd Nd4 1 0.50000000 0.50000000 0.50000000 1.0 Nd Nd5 1 -0.00000000 0.00000000 -0.00000000 1.0 Cu Cu6 1 -0.00000000 0.06811607 0.43637594 1.0 Cu Cu7 1 0.50000000 0.56811607 0.06362406 1.0 Cu Cu8 1 -0.00000000 0.59952697 0.94761911 1.0 Cu Cu9 1 -0.00000000 0.40047303 0.05238089 1.0 Cu Cu10 1 0.50000000 0.09952697 0.55238089 1.0 Cu Cu11 1 0.50000000 0.43188393 0.93637594 1.0 Cu Cu12 1 -0.00000000 0.26423319 0.53518715 1.0 Cu Cu13 1 0.00000000 0.73576681 0.46481285 1.0 Cu Cu14 1 0.50000000 0.76423319 0.96481285 1.0 Cu Cu15 1 0.50000000 0.23576681 0.03518715 1.0 Cu Cu16 1 -0.00000000 0.42555143 0.66839735 1.0 Cu Cu17 1 -0.00000000 0.57444857 0.33160265 1.0 Cu Cu18 1 0.50000000 0.92555143 0.83160265 1.0 Cu Cu19 1 0.50000000 0.07444857 0.16839735 1.0 Cu Cu20 1 -0.00000000 0.82938689 0.71557237 1.0 Cu Cu21 1 0.00000000 0.17061311 0.28442763 1.0 Cu Cu22 1 0.50000000 0.32938689 0.78442763 1.0 Cu Cu23 1 0.50000000 0.67061311 0.21557237 1.0 Cu Cu24 1 0.50000000 0.24188772 0.41109900 1.0 Cu Cu25 1 0.50000000 0.75811228 0.58890100 1.0 Cu Cu26 1 -0.00000000 0.74188772 0.08890100 1.0 Cu Cu27 1 -0.00000000 0.25811228 0.91109900 1.0 Cu Cu28 1 0.50000000 0.90047303 0.44761911 1.0 Cu Cu29 1 -0.00000000 0.93188393 0.56362406 1.0 P P30 1 0.50000000 0.86520004 0.11436572 1.0 P P31 1 0.50000000 0.13479996 0.88563428 1.0 P P32 1 0.00000000 0.36520004 0.38563428 1.0 P P33 1 0.00000000 0.63479996 0.61436572 1.0 P P34 1 0.50000000 0.70658628 0.37135653 1.0 P P35 1 0.50000000 0.29341372 0.62864347 1.0 P P36 1 0.50000000 0.05911242 0.33553707 1.0 P P37 1 0.50000000 0.94088758 0.66446293 1.0 P P38 1 0.00000000 0.55911242 0.16446293 1.0 P P39 1 -0.00000000 0.44088758 0.83553707 1.0 P P40 1 0.00000000 0.20658628 0.12864347 1.0 P P41 1 -0.00000000 0.79341372 0.87135653 1.0