# generated using pymatgen data_Ta6NbH16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.33594724 _cell_length_b 6.33594691 _cell_length_c 6.33594796 _cell_angle_alpha 59.99999969 _cell_angle_beta 60.00000142 _cell_angle_gamma 59.99999921 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ta6NbH16 _chemical_formula_sum 'Ta6 Nb1 H16' _cell_volume 179.85382851 _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 Ta Ta0 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta1 1 0.50000000 0.00000000 0.50000000 1.0 Ta Ta2 1 0.00000000 0.50000000 0.50000000 1.0 Ta Ta3 1 0.50000000 0.50000000 0.00000000 1.0 Ta Ta4 1 0.00000000 0.50000000 0.00000000 1.0 Ta Ta5 1 0.50000000 0.00000000 0.00000000 1.0 Nb Nb6 1 0.00000000 0.00000000 0.00000000 1.0 H H7 1 0.87406003 0.87406003 0.37781792 1.0 H H8 1 0.87406003 0.37781792 0.87406003 1.0 H H9 1 0.37781792 0.87406003 0.87406003 1.0 H H10 1 0.87406003 0.87406003 0.87406003 1.0 H H11 1 0.12593997 0.12593997 0.62218208 1.0 H H12 1 0.12593997 0.62218208 0.12593997 1.0 H H13 1 0.62218208 0.12593997 0.12593997 1.0 H H14 1 0.12593997 0.12593997 0.12593997 1.0 H H15 1 0.62151161 0.62151161 0.13546518 1.0 H H16 1 0.62151161 0.13546518 0.62151161 1.0 H H17 1 0.13546518 0.62151161 0.62151161 1.0 H H18 1 0.62151161 0.62151161 0.62151161 1.0 H H19 1 0.37848839 0.37848839 0.86453482 1.0 H H20 1 0.37848839 0.86453482 0.37848839 1.0 H H21 1 0.86453482 0.37848839 0.37848839 1.0 H H22 1 0.37848839 0.37848839 0.37848839 1.0