# generated using pymatgen data_LiHo3(P3Rh4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91381251 _cell_length_b 11.14117136 _cell_length_c 12.59102656 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural LiHo3(P3Rh4)2 _chemical_formula_sum 'Li2 Ho6 P12 Rh16' _cell_volume 549.02486188 _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 0.50000000 0.50000000 0.15690554 1.0 Li Li1 1 0.00000000 0.00000000 0.84309446 1.0 Ho Ho2 1 0.00000000 0.50000000 0.51739317 1.0 Ho Ho3 1 0.50000000 0.00000000 0.48260683 1.0 Ho Ho4 1 0.50000000 0.81929573 0.20600323 1.0 Ho Ho5 1 0.50000000 0.18070427 0.20600323 1.0 Ho Ho6 1 0.00000000 0.68070427 0.79399677 1.0 Ho Ho7 1 0.00000000 0.31929573 0.79399677 1.0 P P8 1 0.50000000 0.31231223 0.61812746 1.0 P P9 1 0.50000000 0.68768777 0.61812746 1.0 P P10 1 0.00000000 0.18768777 0.38187254 1.0 P P11 1 0.00000000 0.81231223 0.38187254 1.0 P P12 1 0.50000000 0.50000000 0.88222950 1.0 P P13 1 0.00000000 0.00000000 0.11777050 1.0 P P14 1 0.50000000 0.84159603 0.89098058 1.0 P P15 1 0.50000000 0.15840397 0.89098058 1.0 P P16 1 0.00000000 0.65840397 0.10901942 1.0 P P17 1 0.00000000 0.34159603 0.10901942 1.0 P P18 1 0.50000000 0.50000000 0.34628797 1.0 P P19 1 0.00000000 0.00000000 0.65371203 1.0 Rh Rh20 1 0.00000000 0.50000000 0.98548428 1.0 Rh Rh21 1 0.50000000 0.00000000 0.01451572 1.0 Rh Rh22 1 0.50000000 0.29441982 0.43133751 1.0 Rh Rh23 1 0.50000000 0.70558018 0.43133751 1.0 Rh Rh24 1 0.00000000 0.20558018 0.56866249 1.0 Rh Rh25 1 0.00000000 0.79441982 0.56866249 1.0 Rh Rh26 1 0.50000000 0.87359504 0.71023363 1.0 Rh Rh27 1 0.50000000 0.12640496 0.71023363 1.0 Rh Rh28 1 0.00000000 0.62640496 0.28976637 1.0 Rh Rh29 1 0.00000000 0.37359504 0.28976637 1.0 Rh Rh30 1 0.50000000 0.33271579 0.99529806 1.0 Rh Rh31 1 0.50000000 0.66728421 0.99529806 1.0 Rh Rh32 1 0.00000000 0.16728421 0.00470194 1.0 Rh Rh33 1 0.00000000 0.83271579 0.00470194 1.0 Rh Rh34 1 0.50000000 0.50000000 0.70152542 1.0 Rh Rh35 1 0.00000000 0.00000000 0.29847458 1.0