# generated using pymatgen data_LiNd14(Cu3O14)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.79451220 _cell_length_b 8.79451220 _cell_length_c 8.89589158 _cell_angle_alpha 84.21863775 _cell_angle_beta 84.21863775 _cell_angle_gamma 88.75553220 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiNd14(Cu3O14)2 _chemical_formula_sum 'Li1 Nd14 Cu6 O28' _cell_volume 681.01078375 _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 Li Li0 1 0.00000000 0.00000000 0.00000000 1.0 Nd Nd1 1 0.64949100 0.35050900 0.00000000 1.0 Nd Nd2 1 0.35050900 0.64949100 0.00000000 1.0 Nd Nd3 1 0.36254400 0.06474900 0.85746300 1.0 Nd Nd4 1 0.06474900 0.36254400 0.85746300 1.0 Nd Nd5 1 0.07736500 0.77969800 0.71510400 1.0 Nd Nd6 1 0.77969800 0.07736500 0.71510400 1.0 Nd Nd7 1 0.79299500 0.49278600 0.57098100 1.0 Nd Nd8 1 0.49278600 0.79299500 0.57098100 1.0 Nd Nd9 1 0.20700500 0.50721400 0.42901900 1.0 Nd Nd10 1 0.50721400 0.20700500 0.42901900 1.0 Nd Nd11 1 0.22030200 0.92263500 0.28489600 1.0 Nd Nd12 1 0.92263500 0.22030200 0.28489600 1.0 Nd Nd13 1 0.63745600 0.93525100 0.14253700 1.0 Nd Nd14 1 0.93525100 0.63745600 0.14253700 1.0 Cu Cu15 1 0.14279700 0.14279700 0.57106800 1.0 Cu Cu16 1 0.42936900 0.42936900 0.71453600 1.0 Cu Cu17 1 0.71359600 0.71359600 0.85736200 1.0 Cu Cu18 1 0.57063100 0.57063100 0.28546400 1.0 Cu Cu19 1 0.28640400 0.28640400 0.14263800 1.0 Cu Cu20 1 0.85720300 0.85720300 0.42893200 1.0 O O21 1 0.35737300 0.35737300 0.92840900 1.0 O O22 1 0.07452600 0.07452600 0.77691400 1.0 O O23 1 0.10756900 0.60718900 0.92889600 1.0 O O24 1 0.60718900 0.10756900 0.92889600 1.0 O O25 1 0.03556400 0.53546600 0.64342100 1.0 O O26 1 0.00000000 0.00000000 0.50000000 1.0 O O27 1 0.32103600 0.82114100 0.78630600 1.0 O O28 1 0.53546600 0.03556400 0.64342100 1.0 O O29 1 0.82114100 0.32103600 0.78630600 1.0 O O30 1 0.28824000 0.28824000 0.64341200 1.0 O O31 1 0.85039400 0.85039400 0.92483400 1.0 O O32 1 0.57329300 0.57329300 0.78604200 1.0 O O33 1 0.78633400 0.78633400 0.63875900 1.0 O O34 1 0.21366600 0.21366600 0.36124100 1.0 O O35 1 0.24921700 0.75078300 0.50000000 1.0 O O36 1 0.50000000 0.50000000 0.50000000 1.0 O O37 1 0.75078300 0.24921700 0.50000000 1.0 O O38 1 0.71176000 0.71176000 0.35658800 1.0 O O39 1 0.96443600 0.46453400 0.35657900 1.0 O O40 1 0.14960600 0.14960600 0.07516600 1.0 O O41 1 0.17885900 0.67896400 0.21369400 1.0 O O42 1 0.67896400 0.17885900 0.21369400 1.0 O O43 1 0.42670700 0.42670700 0.21395800 1.0 O O44 1 0.46453400 0.96443600 0.35657900 1.0 O O45 1 0.92547400 0.92547400 0.22308600 1.0 O O46 1 0.64262800 0.64262800 0.07159100 1.0 O O47 1 0.39281100 0.89243100 0.07110400 1.0 O O48 1 0.89243100 0.39281100 0.07110400 1.0