# generated using pymatgen data_Ca2Np5UH24 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65800052 _cell_length_b 6.70842807 _cell_length_c 6.69796855 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ca2Np5UH24 _chemical_formula_sum 'Ca2 Np5 U1 H24' _cell_volume 299.16287363 _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 Ca Ca0 1 0.24882908 0.00000000 0.50000000 1.0 Ca Ca1 1 0.75117092 0.00000000 0.50000000 1.0 Np Np2 1 0.00000000 0.00000000 0.00000000 1.0 Np Np3 1 0.00000000 0.50000000 0.25045658 1.0 Np Np4 1 0.00000000 0.50000000 0.74954342 1.0 Np Np5 1 0.50000000 0.75290909 0.00000000 1.0 Np Np6 1 0.50000000 0.24709091 0.00000000 1.0 U U7 1 0.50000000 0.50000000 0.50000000 1.0 H H8 1 0.00000000 0.16152591 0.28726825 1.0 H H9 1 0.50000000 0.21504142 0.66060985 1.0 H H10 1 0.50000000 0.78495858 0.33939015 1.0 H H11 1 0.80487322 0.64768978 0.50000000 1.0 H H12 1 0.19512678 0.64768978 0.50000000 1.0 H H13 1 0.34500173 0.50000000 0.80031034 1.0 H H14 1 0.65499827 0.50000000 0.80031034 1.0 H H15 1 0.31009186 0.00000000 0.14968985 1.0 H H16 1 0.15488960 0.30280361 0.00000000 1.0 H H17 1 0.84511040 0.69719639 0.00000000 1.0 H H18 1 0.31009186 0.00000000 0.85031015 1.0 H H19 1 0.84511040 0.30280361 0.00000000 1.0 H H20 1 0.68990814 0.00000000 0.14968985 1.0 H H21 1 0.68990814 0.00000000 0.85031015 1.0 H H22 1 0.15488960 0.69719639 0.00000000 1.0 H H23 1 0.00000000 0.83847409 0.71273175 1.0 H H24 1 0.00000000 0.16152591 0.71273175 1.0 H H25 1 0.00000000 0.83847409 0.28726825 1.0 H H26 1 0.65499827 0.50000000 0.19968966 1.0 H H27 1 0.34500173 0.50000000 0.19968966 1.0 H H28 1 0.80487322 0.35231022 0.50000000 1.0 H H29 1 0.19512678 0.35231022 0.50000000 1.0 H H30 1 0.50000000 0.78495858 0.66060985 1.0 H H31 1 0.50000000 0.21504142 0.33939015 1.0