# generated using pymatgen data_BaDy2CuO5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.70539300 _cell_length_b 7.23371500 _cell_length_c 12.26568800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural BaDy2CuO5 _chemical_formula_sum 'Ba4 Dy8 Cu4 O20' _cell_volume 506.21950221 _cell_formula_units_Z 4 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 Ba Ba0 1 0.25000000 0.56654100 0.40392800 1.0 Ba Ba1 1 0.75000000 0.43345900 0.59607200 1.0 Ba Ba2 1 0.75000000 0.06654100 0.09607200 1.0 Ba Ba3 1 0.25000000 0.93345900 0.90392800 1.0 Dy Dy4 1 0.25000000 0.10424900 0.57369400 1.0 Dy Dy5 1 0.75000000 0.89575100 0.42630600 1.0 Dy Dy6 1 0.75000000 0.60424900 0.92630600 1.0 Dy Dy7 1 0.25000000 0.39575100 0.07369400 1.0 Dy Dy8 1 0.25000000 0.38879000 0.78679900 1.0 Dy Dy9 1 0.75000000 0.61121000 0.21320100 1.0 Dy Dy10 1 0.75000000 0.88879000 0.71320100 1.0 Dy Dy11 1 0.25000000 0.11121000 0.28679900 1.0 Cu Cu12 1 0.25000000 0.78026900 0.16066200 1.0 Cu Cu13 1 0.75000000 0.21973100 0.83933800 1.0 Cu Cu14 1 0.75000000 0.28026900 0.33933800 1.0 Cu Cu15 1 0.25000000 0.71973100 0.66066200 1.0 O O16 1 0.25000000 0.41698900 0.59941600 1.0 O O17 1 0.75000000 0.58301100 0.40058400 1.0 O O18 1 0.75000000 0.91698900 0.90058400 1.0 O O19 1 0.25000000 0.08301100 0.09941600 1.0 O O20 1 0.00372200 0.85337500 0.27197700 1.0 O O21 1 0.50372200 0.14662500 0.72802300 1.0 O O22 1 0.99627800 0.35337500 0.22802300 1.0 O O23 1 0.49627800 0.64662500 0.77197700 1.0 O O24 1 0.99627800 0.14662500 0.72802300 1.0 O O25 1 0.49627800 0.85337500 0.27197700 1.0 O O26 1 0.00372200 0.64662500 0.77197700 1.0 O O27 1 0.50372200 0.35337500 0.22802300 1.0 O O28 1 0.49459100 0.66052000 0.06834500 1.0 O O29 1 0.99459100 0.33948000 0.93165500 1.0 O O30 1 0.50540900 0.16051900 0.43165500 1.0 O O31 1 0.00540900 0.83948000 0.56834500 1.0 O O32 1 0.99459100 0.16051900 0.43165500 1.0 O O33 1 0.49459100 0.83948000 0.56834500 1.0 O O34 1 0.00540900 0.66052000 0.06834500 1.0 O O35 1 0.50540900 0.33948000 0.93165500 1.0