# generated using pymatgen data_Ba2Tl2Zn2Ni3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63274800 _cell_length_b 3.70348801 _cell_length_c 20.81022081 _cell_angle_alpha 94.96765379 _cell_angle_beta 94.98679692 _cell_angle_gamma 90.00375940 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Tl2Zn2Ni3O10 _chemical_formula_sum 'Ba2 Tl2 Zn2 Ni3 O10' _cell_volume 277.86175242 _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 0.83627900 0.89657500 0.71035600 1.0 Ba Ba1 1 0.15946500 0.20091000 0.28880900 1.0 Tl Tl2 1 0.27511400 0.33035900 0.55995200 1.0 Tl Tl3 1 0.72440200 0.77269600 0.44091700 1.0 Zn Zn4 1 0.05536500 0.10868800 0.08477700 1.0 Zn Zn5 1 0.94908500 0.01772200 0.91586500 1.0 Ni Ni6 1 0.59732700 0.64558300 0.16110800 1.0 Ni Ni7 1 0.40080300 0.47520700 0.83825400 1.0 Ni Ni8 1 0.49920700 0.56339100 0.99764500 1.0 O O9 1 0.11893000 0.66268500 0.20442800 1.0 O O10 1 0.68429800 0.72054400 0.34170200 1.0 O O11 1 0.57669700 0.12850400 0.12810800 1.0 O O12 1 0.23142400 0.24065400 0.45713800 1.0 O O13 1 0.47187200 0.04508300 0.96165700 1.0 O O14 1 0.37716800 0.95554000 0.79731300 1.0 O O15 1 0.31354400 0.36767700 0.65944900 1.0 O O16 1 0.91977000 0.49772400 0.87552700 1.0 O O17 1 0.76993900 0.78193300 0.54415900 1.0 O O18 1 0.02134800 0.58743400 0.04187000 1.0