# generated using pymatgen data_Ca(UH4)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.64416178 _cell_length_b 6.72399308 _cell_length_c 6.72399308 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca(UH4)3 _chemical_formula_sum 'Ca2 U6 H24' _cell_volume 300.39639357 _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 U U2 1 0.00000000 0.00000000 0.00000000 1.0 U U3 1 0.50000000 0.50000000 0.50000000 1.0 U U4 1 0.00000000 0.50000000 0.25236217 1.0 U U5 1 0.00000000 0.50000000 0.74763783 1.0 U U6 1 0.50000000 0.75236217 0.00000000 1.0 U U7 1 0.50000000 0.24763783 0.00000000 1.0 H H8 1 0.00000000 0.16062764 0.28781113 1.0 H H9 1 0.50000000 0.21218887 0.66062764 1.0 H H10 1 0.50000000 0.78781113 0.33937236 1.0 H H11 1 0.81058458 0.64821543 0.50000000 1.0 H H12 1 0.18941542 0.64821543 0.50000000 1.0 H H13 1 0.34542604 0.50000000 0.80323880 1.0 H H14 1 0.65457396 0.50000000 0.80323880 1.0 H H15 1 0.31058458 0.00000000 0.14821543 1.0 H H16 1 0.15457396 0.30323880 0.00000000 1.0 H H17 1 0.84542604 0.69676120 0.00000000 1.0 H H18 1 0.31058458 0.00000000 0.85178457 1.0 H H19 1 0.84542604 0.30323880 0.00000000 1.0 H H20 1 0.68941542 0.00000000 0.14821543 1.0 H H21 1 0.68941542 0.00000000 0.85178457 1.0 H H22 1 0.15457396 0.69676120 0.00000000 1.0 H H23 1 0.00000000 0.83937236 0.71218887 1.0 H H24 1 0.00000000 0.16062764 0.71218887 1.0 H H25 1 0.00000000 0.83937236 0.28781113 1.0 H H26 1 0.65457396 0.50000000 0.19676120 1.0 H H27 1 0.34542604 0.50000000 0.19676120 1.0 H H28 1 0.81058458 0.35178457 0.50000000 1.0 H H29 1 0.18941542 0.35178457 0.50000000 1.0 H H30 1 0.50000000 0.78781113 0.66062764 1.0 H H31 1 0.50000000 0.21218887 0.33937236 1.0