# generated using pymatgen data_Ba2LiLaCu3O7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.00581603 _cell_length_b 4.00587137 _cell_length_c 12.88061264 _cell_angle_alpha 84.75073888 _cell_angle_beta 95.24865708 _cell_angle_gamma 91.54160648 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2LiLaCu3O7 _chemical_formula_sum 'Ba2 Li1 La1 Cu3 O7' _cell_volume 204.92674645 _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 0.41550300 0.58448600 0.87241800 1.0 Ba Ba1 1 0.49557700 0.50443200 0.17036100 1.0 Li Li2 1 0.16821700 0.83177000 0.58723100 1.0 La La3 1 0.58357200 0.41643300 0.46631900 1.0 Cu Cu4 1 0.85576000 0.14420400 0.68517300 1.0 Cu Cu5 1 0.03720100 0.96282800 0.33005000 1.0 Cu Cu6 1 0.95477900 0.04522000 0.01713600 1.0 O O7 1 0.64894100 0.88424400 0.57611800 1.0 O O8 1 0.11574400 0.35104100 0.57612400 1.0 O O9 1 0.53727200 0.96173900 0.33350600 1.0 O O10 1 0.03828100 0.46275500 0.33351100 1.0 O O11 1 0.95736200 0.54301900 0.02700000 1.0 O O12 1 0.45698100 0.04264300 0.02699900 1.0 O O13 1 0.88481000 0.11518600 0.82605700 1.0