# generated using pymatgen data_Hf4Ta2NbH16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.40818619 _cell_length_b 6.40818630 _cell_length_c 6.66442887 _cell_angle_alpha 58.66819275 _cell_angle_beta 58.66819217 _cell_angle_gamma 62.66360377 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Ta2NbH16 _chemical_formula_sum 'Hf4 Ta2 Nb1 H16' _cell_volume 192.87166077 _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 Hf Hf0 1 0.50000000 0.00000000 0.50000000 1.0 Hf Hf1 1 0.00000000 0.50000000 0.50000000 1.0 Hf Hf2 1 0.00000000 0.50000000 0.00000000 1.0 Hf Hf3 1 0.50000000 0.00000000 0.00000000 1.0 Ta Ta4 1 0.00000000 0.00000000 0.50000000 1.0 Ta Ta5 1 0.50000000 0.50000000 0.00000000 1.0 Nb Nb6 1 0.00000000 0.00000000 0.00000000 1.0 H H7 1 0.87969385 0.87969385 0.37286118 1.0 H H8 1 0.86774812 0.37286118 0.87969385 1.0 H H9 1 0.37286118 0.86774812 0.87969385 1.0 H H10 1 0.87969385 0.87969385 0.86774812 1.0 H H11 1 0.12030615 0.12030615 0.62713882 1.0 H H12 1 0.13225188 0.62713882 0.12030615 1.0 H H13 1 0.62713882 0.13225188 0.12030615 1.0 H H14 1 0.12030615 0.12030615 0.13225188 1.0 H H15 1 0.61787972 0.61787972 0.12907357 1.0 H H16 1 0.63516700 0.12907357 0.61787972 1.0 H H17 1 0.12907357 0.63516700 0.61787972 1.0 H H18 1 0.61787972 0.61787972 0.63516700 1.0 H H19 1 0.38212028 0.38212028 0.87092643 1.0 H H20 1 0.36483300 0.87092643 0.38212028 1.0 H H21 1 0.87092643 0.36483300 0.38212028 1.0 H H22 1 0.38212028 0.38212028 0.36483300 1.0