# generated using pymatgen data_Ba2Tm2Al3Si5N11O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.73105644 _cell_length_b 6.73105644 _cell_length_c 10.24425800 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000434 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2Tm2Al3Si5N11O3 _chemical_formula_sum 'Ba2 Tm2 Al3 Si5 N11 O3' _cell_volume 401.95513830 _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 0.33333300 0.66666700 0.22393000 1.0 Ba Ba1 1 0.66666700 0.33333300 0.60950300 1.0 Tm Tm2 1 0.33333300 0.66666700 0.63271500 1.0 Tm Tm3 1 0.66666700 0.33333300 0.04027900 1.0 Al Al4 1 0.17513800 0.82486200 0.95775400 1.0 Al Al5 1 0.17513800 0.35027500 0.95775400 1.0 Al Al6 1 0.64972500 0.82486200 0.95775400 1.0 Si Si7 1 0.00000000 0.00000000 0.21083200 1.0 Si Si8 1 0.00000000 0.00000000 0.56760900 1.0 Si Si9 1 0.32453200 0.16226600 0.37502300 1.0 Si Si10 1 0.83773400 0.67546800 0.37502300 1.0 Si Si11 1 0.83773400 0.16226600 0.37502300 1.0 N N12 1 0.52492000 0.47508000 0.38390300 1.0 N N13 1 0.52492000 0.04983900 0.38390300 1.0 N N14 1 0.52242200 0.26121100 0.83915500 1.0 N N15 1 0.47607700 0.52392300 0.01826300 1.0 N N16 1 0.95016100 0.47508000 0.38390300 1.0 N N17 1 0.73878900 0.47757800 0.83915500 1.0 N N18 1 0.00000000 0.00000000 0.87289200 1.0 N N19 1 0.47607700 0.95215500 0.01826300 1.0 N N20 1 0.04784500 0.52392300 0.01826300 1.0 N N21 1 0.73878900 0.26121100 0.83915500 1.0 N N22 1 0.00000000 0.00000000 0.73012000 1.0 O O23 1 0.06533900 0.53267000 0.51054300 1.0 O O24 1 0.46733000 0.93466100 0.51054300 1.0 O O25 1 0.46733000 0.53267000 0.51054300 1.0