# generated using pymatgen data_Ba2Ca2TbTi3(CuO7)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91333800 _cell_length_b 3.91333800 _cell_length_c 19.69237200 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Ca2TbTi3(CuO7)2 _chemical_formula_sum 'Ba2 Ca2 Tb1 Ti3 Cu2 O14' _cell_volume 301.57320493 _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 Ba Ba0 1 0.50000000 0.50000000 0.30704300 1.0 Ba Ba1 1 0.50000000 0.50000000 0.69295700 1.0 Ca Ca2 1 0.50000000 0.50000000 0.10238000 1.0 Ca Ca3 1 0.50000000 0.50000000 0.89762000 1.0 Tb Tb4 1 0.50000000 0.50000000 0.50000000 1.0 Ti Ti5 1 0.00000000 0.00000000 0.19894800 1.0 Ti Ti6 1 0.00000000 0.00000000 0.80105200 1.0 Ti Ti7 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu8 1 0.00000000 0.00000000 0.41255600 1.0 Cu Cu9 1 0.00000000 0.00000000 0.58744400 1.0 O O10 1 0.00000000 0.50000000 0.42869200 1.0 O O11 1 0.00000000 0.50000000 0.57130800 1.0 O O12 1 0.50000000 0.00000000 0.57130800 1.0 O O13 1 0.50000000 0.00000000 0.42869200 1.0 O O14 1 0.00000000 0.00000000 0.09814200 1.0 O O15 1 0.00000000 0.00000000 0.90185800 1.0 O O16 1 0.00000000 0.50000000 0.00000000 1.0 O O17 1 0.50000000 0.00000000 0.00000000 1.0 O O18 1 0.00000000 0.00000000 0.29767100 1.0 O O19 1 0.00000000 0.00000000 0.70232900 1.0 O O20 1 0.00000000 0.50000000 0.19354900 1.0 O O21 1 0.00000000 0.50000000 0.80645100 1.0 O O22 1 0.50000000 0.00000000 0.80645100 1.0 O O23 1 0.50000000 0.00000000 0.19354900 1.0