# generated using pymatgen data_Ba2Tl2Ni3O10 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.68127000 _cell_length_b 3.68817424 _cell_length_c 19.78587564 _cell_angle_alpha 93.64294293 _cell_angle_beta 94.58368503 _cell_angle_gamma 89.81491571 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Tl2Ni3O10 _chemical_formula_sum 'Ba2 Tl2 Ni3 O10' _cell_volume 267.23538216 _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 0.10362400 0.16675900 0.28053100 1.0 Ba Ba1 1 0.80400000 0.82585700 0.71872500 1.0 Tl Tl2 1 0.68094300 0.72440400 0.43792100 1.0 Tl Tl3 1 0.23664500 0.26802700 0.56122400 1.0 Ni Ni4 1 0.34821200 0.36523700 0.83574700 1.0 Ni Ni5 1 0.54807300 0.62560200 0.16347900 1.0 Ni Ni6 1 0.41091700 0.52431700 0.99982300 1.0 O O7 1 0.34214800 0.85948000 0.81735400 1.0 O O8 1 0.28477200 0.30611400 0.66409300 1.0 O O9 1 0.84187500 0.36074400 0.81922900 1.0 O O10 1 0.76534700 0.76269600 0.54450700 1.0 O O11 1 0.90985800 0.52468500 0.00416600 1.0 O O12 1 0.05529000 0.63221700 0.18150200 1.0 O O13 1 0.63376100 0.68715600 0.33504800 1.0 O O14 1 0.55589700 0.13129100 0.18043900 1.0 O O15 1 0.22656200 0.23193900 0.45455900 1.0 O O16 1 0.40253900 0.02217800 0.99470600 1.0