# generated using pymatgen data_Ba2Mg2Tl2Ni3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.64887600 _cell_length_b 3.73375600 _cell_length_c 20.38461740 _cell_angle_alpha 95.13251308 _cell_angle_beta 95.04598465 _cell_angle_gamma 89.99969309 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Mg2Tl2Ni3O10 _chemical_formula_sum 'Ba2 Mg2 Tl2 Ni3 O10' _cell_volume 275.52609193 _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 0.89593500 0.87192100 0.71533000 1.0 Ba Ba1 1 0.19742100 0.13268400 0.28681400 1.0 Mg Mg2 1 0.11409600 0.03602700 0.08810000 1.0 Mg Mg3 1 0.01798900 0.96822700 0.91713100 1.0 Tl Tl4 1 0.32701200 0.28280000 0.55940100 1.0 Tl Tl5 1 0.77179600 0.71556500 0.43935700 1.0 Ni Ni6 1 0.64510300 0.56761300 0.15968100 1.0 Ni Ni7 1 0.47583800 0.43554300 0.84406600 1.0 Ni Ni8 1 0.57134100 0.50321600 0.00513100 1.0 O O9 1 0.65672200 0.08658400 0.19787700 1.0 O O10 1 0.71794900 0.65887500 0.33765800 1.0 O O11 1 0.12791800 0.55394800 0.12504900 1.0 O O12 1 0.24179200 0.22620400 0.45460500 1.0 O O13 1 0.04762900 0.48803400 0.95918100 1.0 O O14 1 0.95502900 0.41548900 0.80070600 1.0 O O15 1 0.36560000 0.34100600 0.66035300 1.0 O O16 1 0.49660200 0.95031900 0.87428400 1.0 O O17 1 0.78291800 0.77255800 0.54366000 1.0 O O18 1 0.59022300 0.02038600 0.04065300 1.0