# generated using pymatgen data_LiHo2(ScSi2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.86301748 _cell_length_b 7.36066323 _cell_length_c 14.09479346 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHo2(ScSi2)2 _chemical_formula_sum 'Li4 Ho8 Sc8 Si16' _cell_volume 712.01766584 _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 0.15876819 0.50908160 0.75000000 1.0 Li Li1 1 0.84123181 0.49091840 0.25000000 1.0 Li Li2 1 0.34123181 0.00908160 0.25000000 1.0 Li Li3 1 0.65876819 0.99091840 0.75000000 1.0 Ho Ho4 1 0.01441336 0.18247855 0.09920061 1.0 Ho Ho5 1 0.98558664 0.81752145 0.90079939 1.0 Ho Ho6 1 0.48558664 0.68247855 0.90079939 1.0 Ho Ho7 1 0.98558664 0.81752145 0.59920061 1.0 Ho Ho8 1 0.51441336 0.31752145 0.09920061 1.0 Ho Ho9 1 0.01441336 0.18247855 0.40079939 1.0 Ho Ho10 1 0.51441336 0.31752145 0.40079939 1.0 Ho Ho11 1 0.48558664 0.68247855 0.59920061 1.0 Sc Sc12 1 0.33009523 0.17923344 0.62694647 1.0 Sc Sc13 1 0.66990477 0.82076656 0.37305353 1.0 Sc Sc14 1 0.16990477 0.67923344 0.37305353 1.0 Sc Sc15 1 0.66990477 0.82076656 0.12694647 1.0 Sc Sc16 1 0.83009523 0.32076656 0.62694647 1.0 Sc Sc17 1 0.33009523 0.17923344 0.87305353 1.0 Sc Sc18 1 0.83009523 0.32076656 0.87305353 1.0 Sc Sc19 1 0.16990477 0.67923344 0.12694647 1.0 Si Si20 1 0.03028318 0.10146506 0.75000000 1.0 Si Si21 1 0.96971682 0.89853494 0.25000000 1.0 Si Si22 1 0.46971682 0.60146506 0.25000000 1.0 Si Si23 1 0.53028318 0.39853494 0.75000000 1.0 Si Si24 1 0.28061325 0.87949910 0.75000000 1.0 Si Si25 1 0.71938675 0.12050090 0.25000000 1.0 Si Si26 1 0.21938675 0.37949910 0.25000000 1.0 Si Si27 1 0.78061325 0.62050090 0.75000000 1.0 Si Si28 1 0.15795495 0.46434185 0.53480423 1.0 Si Si29 1 0.84204505 0.53565815 0.46519577 1.0 Si Si30 1 0.34204505 0.96434185 0.46519577 1.0 Si Si31 1 0.84204505 0.53565815 0.03480423 1.0 Si Si32 1 0.65795495 0.03565815 0.53480423 1.0 Si Si33 1 0.15795495 0.46434185 0.96519577 1.0 Si Si34 1 0.65795495 0.03565815 0.96519577 1.0 Si Si35 1 0.34204505 0.96434185 0.03480423 1.0