# generated using pymatgen data_GdH3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.43081116 _cell_length_b 6.43080887 _cell_length_c 6.69282354 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000645 _symmetry_Int_Tables_number 1 _chemical_formula_structural GdH3 _chemical_formula_sum 'Gd6 H18' _cell_volume 239.70182300 _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 Gd Gd0 1 0.33644477 1.00000000 0.25000000 1.0 Gd Gd1 1 0.00000000 0.33644477 0.25000000 1.0 Gd Gd2 1 0.66355523 0.66355523 0.25000000 1.0 Gd Gd3 1 0.66355523 0.00000000 0.75000000 1.0 Gd Gd4 1 1.00000000 0.66355523 0.75000000 1.0 Gd Gd5 1 0.33644477 0.33644477 0.75000000 1.0 H H6 1 -0.00000000 -0.00000000 0.25000000 1.0 H H7 1 -0.00000000 -0.00000000 0.75000000 1.0 H H8 1 0.33333300 0.66666700 0.18818800 1.0 H H9 1 0.66666700 0.33333300 0.31181200 1.0 H H10 1 0.66666700 0.33333300 0.81181200 1.0 H H11 1 0.33333300 0.66666700 0.68818800 1.0 H H12 1 0.34908684 0.32177633 0.09179520 1.0 H H13 1 0.67822367 0.02730951 0.09179520 1.0 H H14 1 0.97269049 0.65091316 0.09179520 1.0 H H15 1 0.02730951 0.67822367 0.40820480 1.0 H H16 1 0.65091316 0.97269049 0.40820480 1.0 H H17 1 0.32177633 0.34908684 0.40820480 1.0 H H18 1 0.65091316 0.67822367 0.90820480 1.0 H H19 1 0.32177633 0.97269049 0.90820480 1.0 H H20 1 0.02730951 0.34908684 0.90820480 1.0 H H21 1 0.97269049 0.32177633 0.59179520 1.0 H H22 1 0.34908684 0.02730951 0.59179520 1.0 H H23 1 0.67822367 0.65091316 0.59179520 1.0