# generated using pymatgen data_Hf4Ta2VH16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.38400801 _cell_length_b 6.57529687 _cell_length_c 6.38400825 _cell_angle_alpha 59.00376197 _cell_angle_beta 61.99248149 _cell_angle_gamma 59.00376891 _symmetry_Int_Tables_number 1 _chemical_formula_structural Hf4Ta2VH16 _chemical_formula_sum 'Hf4 Ta2 V1 H16' _cell_volume 189.13957368 _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 0.00000000 0.00000000 0.50000000 1.0 Hf Hf1 1 0.00000000 0.50000000 0.50000000 1.0 Hf Hf2 1 0.50000000 0.50000000 0.00000000 1.0 Hf Hf3 1 0.50000000 0.00000000 0.00000000 1.0 Ta Ta4 1 0.50000000 0.00000000 0.50000000 1.0 Ta Ta5 1 0.00000000 0.50000000 0.00000000 1.0 V V6 1 0.00000000 0.00000000 0.00000000 1.0 H H7 1 0.86977939 0.88222213 0.36577535 1.0 H H8 1 0.88222213 0.36577535 0.88222213 1.0 H H9 1 0.36577535 0.88222213 0.86977939 1.0 H H10 1 0.88222213 0.86977939 0.88222213 1.0 H H11 1 0.13022061 0.11777787 0.63422465 1.0 H H12 1 0.11777787 0.63422465 0.11777787 1.0 H H13 1 0.63422465 0.11777787 0.13022061 1.0 H H14 1 0.11777787 0.13022061 0.11777787 1.0 H H15 1 0.63356120 0.61680836 0.13282207 1.0 H H16 1 0.61680836 0.13282207 0.61680836 1.0 H H17 1 0.13282207 0.61680836 0.63356120 1.0 H H18 1 0.61680836 0.63356120 0.61680836 1.0 H H19 1 0.36643880 0.38319164 0.86717793 1.0 H H20 1 0.38319164 0.86717793 0.38319164 1.0 H H21 1 0.86717793 0.38319164 0.36643880 1.0 H H22 1 0.38319164 0.36643880 0.38319164 1.0