# generated using pymatgen data_LaNdCuO4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86113394 _cell_length_b 6.86113394 _cell_length_c 6.86113394 _cell_angle_alpha 146.18699007 _cell_angle_beta 146.18699007 _cell_angle_gamma 48.56910345 _symmetry_Int_Tables_number 1 _chemical_formula_structural LaNdCuO4 _chemical_formula_sum 'La1 Nd1 Cu1 O4' _cell_volume 99.59378759 _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 La La0 1 0.34981100 0.34981100 0.00000000 1.0 Nd Nd1 1 0.64953000 0.64953000 0.00000000 1.0 Cu Cu2 1 0.00157100 0.00157100 0.00000000 1.0 O O3 1 0.74766000 0.24766000 0.50000000 1.0 O O4 1 0.24766000 0.74766000 0.50000000 1.0 O O5 1 0.00188400 0.50188400 0.50000000 1.0 O O6 1 0.50188400 0.00188400 0.50000000 1.0