# generated using pymatgen data_Nd2Cu2O5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.13425496 _cell_length_b 7.13425496 _cell_length_c 27.29127980 _cell_angle_alpha 77.57407522 _cell_angle_beta 77.57407522 _cell_angle_gamma 30.16705116 _symmetry_Int_Tables_number 1 _chemical_formula_structural Nd2Cu2O5 _chemical_formula_sum 'Nd12 Cu12 O30' _cell_volume 680.48015228 _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 0.57479700 0.11835500 0.63554400 1.0 Nd Nd1 1 0.09547800 0.65792500 0.40184500 1.0 Nd Nd2 1 0.42520300 0.88164500 0.36445600 1.0 Nd Nd3 1 0.88164500 0.42520300 0.86445600 1.0 Nd Nd4 1 0.11835500 0.57479700 0.13554400 1.0 Nd Nd5 1 0.88462200 0.39169800 0.73158000 1.0 Nd Nd6 1 0.11537800 0.60830200 0.26842000 1.0 Nd Nd7 1 0.90452200 0.34207500 0.59815500 1.0 Nd Nd8 1 0.60830200 0.11537800 0.76842000 1.0 Nd Nd9 1 0.34207500 0.90452200 0.09815500 1.0 Nd Nd10 1 0.39169800 0.88462200 0.23158000 1.0 Nd Nd11 1 0.65792500 0.09547800 0.90184500 1.0 Cu Cu12 1 0.24844300 0.73946500 0.68091000 1.0 Cu Cu13 1 0.26104500 0.72351500 0.53880200 1.0 Cu Cu14 1 0.27648500 0.73895500 0.96119800 1.0 Cu Cu15 1 0.29164700 0.08114500 0.46986200 1.0 Cu Cu16 1 0.91885500 0.70835300 0.03013800 1.0 Cu Cu17 1 0.26053500 0.75155700 0.81909000 1.0 Cu Cu18 1 0.72351500 0.26104500 0.03880200 1.0 Cu Cu19 1 0.73895500 0.27648500 0.46119800 1.0 Cu Cu20 1 0.75155700 0.26053500 0.31909000 1.0 Cu Cu21 1 0.70835300 0.91885500 0.53013800 1.0 Cu Cu22 1 0.08114500 0.29164700 0.96986200 1.0 Cu Cu23 1 0.73946500 0.24844300 0.18091000 1.0 O O24 1 0.25104700 0.75834500 0.31965500 1.0 O O25 1 0.38696100 0.95702600 0.66505400 1.0 O O26 1 0.75834500 0.25104700 0.81965500 1.0 O O27 1 0.27956900 0.81475400 0.46179100 1.0 O O28 1 0.74619700 0.25380300 0.25000000 1.0 O O29 1 0.71942600 0.25895800 0.11068600 1.0 O O30 1 0.87900700 0.45789900 0.03876200 1.0 O O31 1 0.74895300 0.24165500 0.68034500 1.0 O O32 1 0.00237200 0.58410400 0.58990400 1.0 O O33 1 0.04383800 0.58524200 0.70911600 1.0 O O34 1 0.24165500 0.74895300 0.18034500 1.0 O O35 1 0.04297400 0.61303900 0.83494600 1.0 O O36 1 0.25895800 0.71942600 0.61068600 1.0 O O37 1 0.28057400 0.74104200 0.88931400 1.0 O O38 1 0.41475800 0.95616200 0.79088400 1.0 O O39 1 0.18524600 0.72043100 0.03820900 1.0 O O40 1 0.99762800 0.41589600 0.41009600 1.0 O O41 1 0.25380300 0.74619700 0.75000000 1.0 O O42 1 0.58410400 0.00237200 0.08990400 1.0 O O43 1 0.72043100 0.18524600 0.53820900 1.0 O O44 1 0.81475400 0.27956900 0.96179100 1.0 O O45 1 0.58524200 0.04383800 0.20911600 1.0 O O46 1 0.95702600 0.38696100 0.16505500 1.0 O O47 1 0.45789900 0.87900700 0.53876200 1.0 O O48 1 0.54210100 0.12099300 0.46123800 1.0 O O49 1 0.12099300 0.54210100 0.96123800 1.0 O O50 1 0.95616200 0.41475800 0.29088400 1.0 O O51 1 0.74104200 0.28057400 0.38931400 1.0 O O52 1 0.41589600 0.99762800 0.91009600 1.0 O O53 1 0.61303900 0.04297400 0.33494600 1.0