# generated using pymatgen data_Ba2H9W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.63856960 _cell_length_b 9.63856890 _cell_length_c 5.36409825 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000585 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ba2H9W _chemical_formula_sum 'Ba6 H27 W3' _cell_volume 431.57121822 _cell_formula_units_Z 3 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 0.00000000 0.26857825 0.50000000 1.0 Ba Ba1 1 0.73142175 0.73142175 0.50000000 1.0 Ba Ba2 1 0.26857825 0.00000000 0.50000000 1.0 Ba Ba3 1 0.00000000 0.60701827 0.00000000 1.0 Ba Ba4 1 0.39298173 0.39298173 0.00000000 1.0 Ba Ba5 1 0.60701827 0.00000000 0.00000000 1.0 H H6 1 0.78887536 0.32288807 0.74374035 1.0 H H7 1 0.67711193 0.46598728 0.74374035 1.0 H H8 1 0.53401272 0.21112464 0.74374035 1.0 H H9 1 0.21112464 0.53401272 0.25625965 1.0 H H10 1 0.53401272 0.21112464 0.25625965 1.0 H H11 1 0.78887536 0.32288807 0.25625965 1.0 H H12 1 0.67711193 0.46598728 0.25625965 1.0 H H13 1 0.32288807 0.78887536 0.74374035 1.0 H H14 1 0.46598728 0.67711193 0.74374035 1.0 H H15 1 0.18587078 1.00000000 0.00000000 1.0 H H16 1 0.81412922 0.81412922 0.00000000 1.0 H H17 1 1.00000000 0.18587078 0.00000000 1.0 H H18 1 0.86566808 0.00000000 0.23385746 1.0 H H19 1 0.13433192 0.13433192 0.76614254 1.0 H H20 1 0.00000000 0.86566808 0.76614254 1.0 H H21 1 0.00000000 0.86566808 0.23385746 1.0 H H22 1 0.13433192 0.13433192 0.23385746 1.0 H H23 1 0.86566808 0.00000000 0.76614254 1.0 H H24 1 0.14466745 0.65586308 0.50000000 1.0 H H25 1 0.51119563 0.85533255 0.50000000 1.0 H H26 1 0.34413692 0.48880437 0.50000000 1.0 H H27 1 0.48880437 0.34413692 0.50000000 1.0 H H28 1 0.85533255 0.51119563 0.50000000 1.0 H H29 1 0.65586308 0.14466745 0.50000000 1.0 H H30 1 0.21112464 0.53401272 0.74374035 1.0 H H31 1 0.32288807 0.78887536 0.25625965 1.0 H H32 1 0.46598728 0.67711193 0.25625965 1.0 W W33 1 0.66666700 0.33333300 0.50000000 1.0 W W34 1 0.33333300 0.66666700 0.50000000 1.0 W W35 1 0.00000000 0.00000000 0.00000000 1.0