# generated using pymatgen data_NdTcH5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70428645 _cell_length_b 4.53604781 _cell_length_c 11.90543830 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdTcH5 _chemical_formula_sum 'Nd4 Tc4 H20' _cell_volume 254.04857961 _cell_formula_units_Z 4 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 Nd Nd0 1 0.25000697 0.24698483 0.64557376 1.0 Nd Nd1 1 0.75000697 0.25301517 0.35442624 1.0 Nd Nd2 1 0.24999303 0.75301517 0.14557376 1.0 Nd Nd3 1 0.74999303 0.74698483 0.85442624 1.0 Tc Tc4 1 0.24986312 0.21165960 0.91630970 1.0 Tc Tc5 1 0.74986312 0.28834040 0.08369030 1.0 Tc Tc6 1 0.25013688 0.78834040 0.41630970 1.0 Tc Tc7 1 0.75013688 0.71165960 0.58369030 1.0 H H8 1 0.48192396 0.52418215 0.49752377 1.0 H H9 1 0.98192396 0.97581785 0.50247623 1.0 H H10 1 0.01807604 0.47581785 0.99752377 1.0 H H11 1 0.51807604 0.02418215 0.00247623 1.0 H H12 1 0.24999629 0.89639306 0.84122703 1.0 H H13 1 0.74999629 0.60360694 0.15877297 1.0 H H14 1 0.25000371 0.10360694 0.34122703 1.0 H H15 1 0.75000371 0.39639306 0.65877297 1.0 H H16 1 0.99219930 0.28100824 0.81854980 1.0 H H17 1 0.49219930 0.21899176 0.18145020 1.0 H H18 1 0.50780070 0.71899176 0.31854980 1.0 H H19 1 0.00780070 0.78100824 0.68145020 1.0 H H20 1 0.50740464 0.28136485 0.81854527 1.0 H H21 1 0.00740464 0.21863515 0.18145473 1.0 H H22 1 0.99259536 0.71863515 0.31854527 1.0 H H23 1 0.49259536 0.78136485 0.68145473 1.0 H H24 1 0.98167443 0.02415081 0.00249822 1.0 H H25 1 0.48167443 0.47584919 0.99750178 1.0 H H26 1 0.51832557 0.97584919 0.50249822 1.0 H H27 1 0.01832557 0.52415081 0.49750178 1.0