# generated using pymatgen data_TbH3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35832169 _cell_length_b 6.35832282 _cell_length_c 6.63056653 _cell_angle_alpha 90.00000780 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99998350 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbH3 _chemical_formula_sum 'Tb6 H18' _cell_volume 232.14878292 _cell_formula_units_Z 6 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 Tb Tb0 1 0.00000066 0.66281087 0.24999977 1.0 Tb Tb1 1 0.33718913 0.33718879 0.24999977 1.0 Tb Tb2 1 0.66281021 0.00000034 0.24999977 1.0 Tb Tb3 1 0.66281187 0.66281121 0.75000023 1.0 Tb Tb4 1 -0.00000066 0.33718913 0.75000023 1.0 Tb Tb5 1 0.33718879 -0.00000034 0.75000023 1.0 H H6 1 0.67946008 0.64855544 0.09086079 1.0 H H7 1 0.35144456 0.03090464 0.09086079 1.0 H H8 1 0.96909536 0.32053992 0.09086079 1.0 H H9 1 0.33333300 0.66666700 0.18694879 1.0 H H10 1 0.00000000 0.00000100 0.24999871 1.0 H H11 1 0.66666600 0.33333300 0.31304888 1.0 H H12 1 0.03090547 0.35144573 0.40913936 1.0 H H13 1 0.64855427 0.67946074 0.40913936 1.0 H H14 1 0.32053926 0.96909453 0.40913936 1.0 H H15 1 0.67946074 0.03090647 0.59086064 1.0 H H16 1 0.35144573 0.32054026 0.59086064 1.0 H H17 1 0.96909453 0.64855427 0.59086064 1.0 H H18 1 0.33333400 0.66666700 0.68695112 1.0 H H19 1 -0.00000000 -0.00000000 0.75000029 1.0 H H20 1 0.66666700 0.33333400 0.81305121 1.0 H H21 1 0.03090464 0.67946008 0.90913921 1.0 H H22 1 0.64855544 0.96909536 0.90913921 1.0 H H23 1 0.32053992 0.35144456 0.90913921 1.0