# generated using pymatgen data_Ho4Tc3NiB16 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.54481111 _cell_length_b 5.92526498 _cell_length_c 11.47949830 _cell_angle_alpha 90.00028604 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho4Tc3NiB16 _chemical_formula_sum 'Ho4 Tc3 Ni1 B16' _cell_volume 241.11475230 _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 Ho Ho0 1 0.00000000 0.62855827 0.35155036 1.0 Ho Ho1 1 0.00000000 0.37256812 0.64626176 1.0 Ho Ho2 1 0.00000000 0.12824746 0.15321481 1.0 Ho Ho3 1 0.00000000 0.87263000 0.84739989 1.0 Tc Tc4 1 0.00000000 0.63122710 0.08490709 1.0 Tc Tc5 1 0.00000000 0.36789686 0.91302041 1.0 Tc Tc6 1 0.00000000 0.13126823 0.41505498 1.0 Ni Ni7 1 0.00000000 0.85805964 0.59575614 1.0 B B8 1 0.50000000 0.78674129 0.18541464 1.0 B B9 1 0.50000000 0.21218854 0.81351228 1.0 B B10 1 0.50000000 0.28654530 0.31544040 1.0 B B11 1 0.50000000 0.71504667 0.68284261 1.0 B B12 1 0.50000000 0.86485554 0.03086427 1.0 B B13 1 0.50000000 0.13541990 0.96811899 1.0 B B14 1 0.50000000 0.36600336 0.46952698 1.0 B B15 1 0.50000000 0.63925973 0.53206560 1.0 B B16 1 0.50000000 0.88733070 0.45196780 1.0 B B17 1 0.50000000 0.11344719 0.54678962 1.0 B B18 1 0.50000000 0.38645761 0.04683709 1.0 B B19 1 0.50000000 0.61384959 0.95179029 1.0 B B20 1 0.50000000 0.97594654 0.30770700 1.0 B B21 1 0.50000000 0.02348483 0.69133842 1.0 B B22 1 0.50000000 0.47770585 0.19256101 1.0 B B23 1 0.50000000 0.52525868 0.80605657 1.0