# generated using pymatgen data_Ho2Sc3P12Ru19 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 12.36096736 _cell_length_b 12.36096799 _cell_length_c 3.93281093 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000090 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ho2Sc3P12Ru19 _chemical_formula_sum 'Ho2 Sc3 P12 Ru19' _cell_volume 520.40161755 _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 0.66666700 0.33333300 0.00000000 1.0 Ho Ho1 1 0.33333300 0.66666700 0.00000000 1.0 Sc Sc2 1 1.00000000 0.18189726 0.50000000 1.0 Sc Sc3 1 0.81810274 0.81810274 0.50000000 1.0 Sc Sc4 1 0.18189726 0.00000000 0.50000000 1.0 P P5 1 0.00000000 0.81863266 0.00000000 1.0 P P6 1 0.18136734 0.18136734 0.00000000 1.0 P P7 1 0.81863266 1.00000000 0.00000000 1.0 P P8 1 0.69363295 0.16952352 0.50000000 1.0 P P9 1 0.83047648 0.52410943 0.50000000 1.0 P P10 1 0.47589057 0.30636705 0.50000000 1.0 P P11 1 0.16952352 0.69363295 0.50000000 1.0 P P12 1 0.52410943 0.83047648 0.50000000 1.0 P P13 1 0.30636705 0.47589057 0.50000000 1.0 P P14 1 1.00000000 0.37288322 0.00000000 1.0 P P15 1 0.62711678 0.62711678 0.00000000 1.0 P P16 1 0.37288322 0.00000000 0.00000000 1.0 Ru Ru17 1 1.00000000 0.55618743 0.00000000 1.0 Ru Ru18 1 0.44381257 0.44381257 0.00000000 1.0 Ru Ru19 1 0.55618743 0.00000000 0.00000000 1.0 Ru Ru20 1 0.00000000 0.72179613 0.50000000 1.0 Ru Ru21 1 0.27820387 0.27820387 0.50000000 1.0 Ru Ru22 1 0.72179613 1.00000000 0.50000000 1.0 Ru Ru23 1 0.81237005 0.18499945 0.00000000 1.0 Ru Ru24 1 0.81500055 0.62737059 0.00000000 1.0 Ru Ru25 1 0.37262941 0.18762995 0.00000000 1.0 Ru Ru26 1 0.18499945 0.81237005 0.00000000 1.0 Ru Ru27 1 0.62737059 0.81500055 0.00000000 1.0 Ru Ru28 1 0.18762995 0.37262941 0.00000000 1.0 Ru Ru29 1 0.87359435 0.36533469 0.50000000 1.0 Ru Ru30 1 0.63466531 0.50825966 0.50000000 1.0 Ru Ru31 1 0.49174034 0.12640565 0.50000000 1.0 Ru Ru32 1 0.36533469 0.87359435 0.50000000 1.0 Ru Ru33 1 0.50825966 0.63466531 0.50000000 1.0 Ru Ru34 1 0.12640565 0.49174034 0.50000000 1.0 Ru Ru35 1 0.00000000 0.00000000 0.00000000 1.0