# generated using pymatgen data_Ho6ScP12Rh17 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91699427 _cell_length_b 11.11640253 _cell_length_c 12.68762049 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho6ScP12Rh17 _chemical_formula_sum 'Ho6 Sc1 P12 Rh17' _cell_volume 552.45559975 _cell_formula_units_Z 1 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 Ho Ho0 1 0.00000000 0.50000000 0.52179614 1.0 Ho Ho1 1 0.50000000 0.00000000 0.47638250 1.0 Ho Ho2 1 0.50000000 0.81806802 0.20713213 1.0 Ho Ho3 1 0.50000000 0.18193198 0.20713213 1.0 Ho Ho4 1 0.00000000 0.68155263 0.79554473 1.0 Ho Ho5 1 0.00000000 0.31844737 0.79554473 1.0 Sc Sc6 1 0.50000000 0.50000000 0.15573691 1.0 P P7 1 0.50000000 0.31529769 0.62011480 1.0 P P8 1 0.50000000 0.68470231 0.62011480 1.0 P P9 1 0.00000000 0.18593745 0.38304194 1.0 P P10 1 0.00000000 0.81406255 0.38304194 1.0 P P11 1 0.50000000 0.50000000 0.87793233 1.0 P P12 1 0.00000000 0.00000000 0.12072262 1.0 P P13 1 0.50000000 0.84881470 0.88897637 1.0 P P14 1 0.50000000 0.15118530 0.88897637 1.0 P P15 1 0.00000000 0.66133042 0.10784714 1.0 P P16 1 0.00000000 0.33866958 0.10784714 1.0 P P17 1 0.50000000 0.50000000 0.35961527 1.0 P P18 1 0.00000000 0.00000000 0.64682153 1.0 Rh Rh19 1 0.00000000 0.50000000 0.98655128 1.0 Rh Rh20 1 0.50000000 0.00000000 0.01859531 1.0 Rh Rh21 1 0.50000000 0.29137916 0.43542003 1.0 Rh Rh22 1 0.50000000 0.70862084 0.43542003 1.0 Rh Rh23 1 0.00000000 0.20037420 0.57077511 1.0 Rh Rh24 1 0.00000000 0.79962580 0.57077511 1.0 Rh Rh25 1 0.50000000 0.87417513 0.70975011 1.0 Rh Rh26 1 0.50000000 0.12582487 0.70975011 1.0 Rh Rh27 1 0.00000000 0.62746816 0.29220642 1.0 Rh Rh28 1 0.00000000 0.37253184 0.29220642 1.0 Rh Rh29 1 0.50000000 0.32935107 0.98655111 1.0 Rh Rh30 1 0.50000000 0.67064893 0.98655111 1.0 Rh Rh31 1 0.00000000 0.16431209 0.00693779 1.0 Rh Rh32 1 0.00000000 0.83568791 0.00693779 1.0 Rh Rh33 1 0.00000000 0.00000000 0.82773071 1.0 Rh Rh34 1 0.50000000 0.50000000 0.70078348 1.0 Rh Rh35 1 0.00000000 0.00000000 0.29873156 1.0