# generated using pymatgen data_LiYb3As2H _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.21861377 _cell_length_b 11.26838996 _cell_length_c 11.59155775 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiYb3As2H _chemical_formula_sum 'Li4 Yb12 As8 H4' _cell_volume 551.02770790 _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 Li Li0 1 0.25000000 0.13255985 0.86091697 1.0 Li Li1 1 0.25000000 0.63255985 0.63908303 1.0 Li Li2 1 0.75000000 0.86744015 0.13908303 1.0 Li Li3 1 0.75000000 0.36744015 0.36091697 1.0 Yb Yb4 1 0.25000000 0.05947392 0.62190758 1.0 Yb Yb5 1 0.25000000 0.55947392 0.87809242 1.0 Yb Yb6 1 0.75000000 0.94052608 0.37809242 1.0 Yb Yb7 1 0.75000000 0.44052608 0.12190758 1.0 Yb Yb8 1 0.25000000 0.36460485 0.56255612 1.0 Yb Yb9 1 0.25000000 0.86460485 0.93744388 1.0 Yb Yb10 1 0.75000000 0.63539515 0.43744388 1.0 Yb Yb11 1 0.75000000 0.13539515 0.06255612 1.0 Yb Yb12 1 0.25000000 0.21116061 0.29465087 1.0 Yb Yb13 1 0.25000000 0.71116061 0.20534913 1.0 Yb Yb14 1 0.75000000 0.78883939 0.70534913 1.0 Yb Yb15 1 0.75000000 0.28883939 0.79465087 1.0 As As16 1 0.25000000 0.48164480 0.32366507 1.0 As As17 1 0.25000000 0.98164480 0.17633493 1.0 As As18 1 0.75000000 0.51835520 0.67633493 1.0 As As19 1 0.75000000 0.01835520 0.82366507 1.0 As As20 1 0.25000000 0.31503167 0.98856131 1.0 As As21 1 0.25000000 0.81503167 0.51143869 1.0 As As22 1 0.75000000 0.68496833 0.01143869 1.0 As As23 1 0.75000000 0.18496833 0.48856131 1.0 H H24 1 0.25000000 0.23667098 0.72266112 1.0 H H25 1 0.25000000 0.73667098 0.77733888 1.0 H H26 1 0.75000000 0.76332902 0.27733888 1.0 H H27 1 0.75000000 0.26332902 0.22266112 1.0