# generated using pymatgen data_Ba2Ca2Tl2Ni3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.85180000 _cell_length_b 3.90897733 _cell_length_c 18.86846139 _cell_angle_alpha 95.77984540 _cell_angle_beta 95.66330515 _cell_angle_gamma 89.97653336 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Ca2Tl2Ni3O10 _chemical_formula_sum 'Ba2 Ca2 Tl2 Ni3 O10' _cell_volume 281.25792088 _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 0.83593800 0.90507100 0.71880200 1.0 Ba Ba1 1 0.16679200 0.20464400 0.28185200 1.0 Ca Ca2 1 0.06312200 0.11981400 0.08779100 1.0 Ca Ca3 1 0.93577400 0.01377200 0.91289100 1.0 Tl Tl4 1 0.27798800 0.35828600 0.56287300 1.0 Tl Tl5 1 0.72828400 0.79987500 0.43780700 1.0 Ni Ni6 1 0.61259400 0.65697300 0.17232700 1.0 Ni Ni7 1 0.38761900 0.46615700 0.82888800 1.0 Ni Ni8 1 0.49104200 0.57556300 0.00185100 1.0 O O9 1 0.11518600 0.65868300 0.17737800 1.0 O O10 1 0.68694500 0.71643300 0.32714400 1.0 O O11 1 0.60945300 0.15503200 0.16869500 1.0 O O12 1 0.23332300 0.18048700 0.45161300 1.0 O O13 1 0.48124800 0.07225900 0.99356800 1.0 O O14 1 0.38349400 0.96328200 0.82240100 1.0 O O15 1 0.31847900 0.37543000 0.67341800 1.0 O O16 1 0.88959200 0.47065100 0.83424700 1.0 O O17 1 0.77280500 0.72574800 0.54889900 1.0 O O18 1 0.99235800 0.58075300 0.00659300 1.0