# generated using pymatgen data_HfZr7H30 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.97963524 _cell_length_b 6.97963537 _cell_length_c 6.97963492 _cell_angle_alpha 109.53407572 _cell_angle_beta 109.53408149 _cell_angle_gamma 109.53406725 _symmetry_Int_Tables_number 1 _chemical_formula_structural HfZr7H30 _chemical_formula_sum 'Hf1 Zr7 H30' _cell_volume 261.13284074 _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 0.90354137 0.90354137 0.90354137 1.0 Zr Zr1 1 0.49995903 0.99999520 0.09385953 1.0 Zr Zr2 1 0.99999520 0.09385953 0.49995903 1.0 Zr Zr3 1 0.09385953 0.49995903 0.99999520 1.0 Zr Zr4 1 0.99984234 0.59404404 0.50081640 1.0 Zr Zr5 1 0.59404404 0.50081640 0.99984234 1.0 Zr Zr6 1 0.50081640 0.99984234 0.59404404 1.0 Zr Zr7 1 0.40397641 0.40397641 0.40397641 1.0 H H8 1 0.65532018 0.96899290 0.38539790 1.0 H H9 1 0.23060282 0.31355269 0.84469998 1.0 H H10 1 0.18598362 0.41628648 0.53041040 1.0 H H11 1 0.08184280 0.26669634 0.11114262 1.0 H H12 1 0.26669634 0.11114262 0.08184280 1.0 H H13 1 0.11114262 0.08184280 0.26669634 1.0 H H14 1 0.47054900 0.15598774 0.88591448 1.0 H H15 1 0.73066271 0.34482271 0.81374077 1.0 H H16 1 0.62450624 0.37523522 0.25052979 1.0 H H17 1 0.25052979 0.62450624 0.37523522 1.0 H H18 1 0.75044113 0.87547063 0.12371054 1.0 H H19 1 0.12371054 0.75044113 0.87547063 1.0 H H20 1 0.37523522 0.25052979 0.62450624 1.0 H H21 1 0.87547063 0.12371054 0.75044113 1.0 H H22 1 0.77156431 0.58667408 0.61723309 1.0 H H23 1 0.31355269 0.84469998 0.23060282 1.0 H H24 1 0.38539790 0.65532018 0.96899290 1.0 H H25 1 0.96899290 0.38539790 0.65532018 1.0 H H26 1 0.53041040 0.18598362 0.41628648 1.0 H H27 1 0.41628648 0.53041040 0.18598362 1.0 H H28 1 0.84469998 0.23060282 0.31355269 1.0 H H29 1 0.91726873 0.68941388 0.02931389 1.0 H H30 1 0.81374077 0.73066271 0.34482271 1.0 H H31 1 0.15598774 0.88591448 0.47054900 1.0 H H32 1 0.68941388 0.02931389 0.91726873 1.0 H H33 1 0.34482271 0.81374077 0.73066271 1.0 H H34 1 0.88591448 0.47054900 0.15598774 1.0 H H35 1 0.61723309 0.77156431 0.58667408 1.0 H H36 1 0.58667408 0.61723309 0.77156431 1.0 H H37 1 0.02931389 0.91726873 0.68941388 1.0