# generated using pymatgen data_LiEr9Mg3Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.49896696 _cell_length_b 9.49896772 _cell_length_c 9.61077687 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000090 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiEr9Mg3Ru _chemical_formula_sum 'Li2 Er18 Mg6 Ru2' _cell_volume 751.00341426 _cell_formula_units_Z 2 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 0.00000000 0.00000000 0.50000000 1.0 Li Li1 1 0.00000000 0.00000000 0.00000000 1.0 Er Er2 1 0.21045373 0.78954627 0.44089572 1.0 Er Er3 1 0.21045373 0.42090846 0.44089572 1.0 Er Er4 1 0.57909154 0.78954627 0.44089572 1.0 Er Er5 1 0.78954627 0.21045373 0.55910428 1.0 Er Er6 1 0.78954627 0.57909154 0.55910428 1.0 Er Er7 1 0.42090846 0.21045373 0.55910428 1.0 Er Er8 1 0.78954627 0.21045373 0.94089572 1.0 Er Er9 1 0.78954627 0.57909154 0.94089572 1.0 Er Er10 1 0.42090846 0.21045373 0.94089572 1.0 Er Er11 1 0.21045373 0.78954627 0.05910428 1.0 Er Er12 1 0.21045373 0.42090846 0.05910428 1.0 Er Er13 1 0.57909154 0.78954627 0.05910428 1.0 Er Er14 1 0.54203274 0.45796726 0.25000000 1.0 Er Er15 1 0.54203274 0.08406649 0.25000000 1.0 Er Er16 1 0.91593351 0.45796726 0.25000000 1.0 Er Er17 1 0.45796726 0.54203274 0.75000000 1.0 Er Er18 1 0.45796726 0.91593351 0.75000000 1.0 Er Er19 1 0.08406649 0.54203274 0.75000000 1.0 Mg Mg20 1 0.89424174 0.10575826 0.25000000 1.0 Mg Mg21 1 0.89424174 0.78848547 0.25000000 1.0 Mg Mg22 1 0.21151453 0.10575826 0.25000000 1.0 Mg Mg23 1 0.10575826 0.89424174 0.75000000 1.0 Mg Mg24 1 0.10575826 0.21151453 0.75000000 1.0 Mg Mg25 1 0.78848547 0.89424174 0.75000000 1.0 Ru Ru26 1 0.33333300 0.66666700 0.25000000 1.0 Ru Ru27 1 0.66666700 0.33333300 0.75000000 1.0