# generated using pymatgen data_CaHf(UH6)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.46851645 _cell_length_b 6.51192496 _cell_length_c 6.51192496 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural CaHf(UH6)2 _chemical_formula_sum 'Ca2 Hf2 U4 H24' _cell_volume 274.29851824 _cell_formula_units_Z 2 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 Ca Ca0 1 0.25000000 0.00000000 0.50000000 1.0 Ca Ca1 1 0.75000000 0.00000000 0.50000000 1.0 Hf Hf2 1 0.00000000 0.00000000 0.00000000 1.0 Hf Hf3 1 0.50000000 0.50000000 0.50000000 1.0 U U4 1 0.00000000 0.50000000 0.25163704 1.0 U U5 1 0.00000000 0.50000000 0.74836296 1.0 U U6 1 0.50000000 0.75163704 0.00000000 1.0 U U7 1 0.50000000 0.24836296 0.00000000 1.0 H H8 1 0.00000000 0.15428837 0.27569304 1.0 H H9 1 0.50000000 0.22430696 0.65428837 1.0 H H10 1 0.50000000 0.77569304 0.34571163 1.0 H H11 1 0.79565836 0.64824220 0.50000000 1.0 H H12 1 0.20434164 0.64824220 0.50000000 1.0 H H13 1 0.34934250 0.50000000 0.78959318 1.0 H H14 1 0.65065750 0.50000000 0.78959318 1.0 H H15 1 0.29565836 0.00000000 0.14824220 1.0 H H16 1 0.15065750 0.28959318 0.00000000 1.0 H H17 1 0.84934250 0.71040682 0.00000000 1.0 H H18 1 0.29565836 0.00000000 0.85175780 1.0 H H19 1 0.84934250 0.28959318 0.00000000 1.0 H H20 1 0.70434164 0.00000000 0.14824220 1.0 H H21 1 0.70434164 0.00000000 0.85175780 1.0 H H22 1 0.15065750 0.71040682 0.00000000 1.0 H H23 1 0.00000000 0.84571163 0.72430696 1.0 H H24 1 0.00000000 0.15428837 0.72430696 1.0 H H25 1 0.00000000 0.84571163 0.27569304 1.0 H H26 1 0.65065750 0.50000000 0.21040682 1.0 H H27 1 0.34934250 0.50000000 0.21040682 1.0 H H28 1 0.79565836 0.35175780 0.50000000 1.0 H H29 1 0.20434164 0.35175780 0.50000000 1.0 H H30 1 0.50000000 0.77569304 0.65428837 1.0 H H31 1 0.50000000 0.22430696 0.34571163 1.0