# generated using pymatgen data_Sc9Tc4P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.58682510 _cell_length_b 8.58682558 _cell_length_c 8.57830269 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999817 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc9Tc4P _chemical_formula_sum 'Sc18 Tc8 P2' _cell_volume 547.76876602 _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 Sc Sc0 1 0.19780984 0.80219016 0.45305117 1.0 Sc Sc1 1 0.19780984 0.39562168 0.45305117 1.0 Sc Sc2 1 0.60437832 0.80219016 0.45305117 1.0 Sc Sc3 1 0.80219016 0.19780984 0.54694883 1.0 Sc Sc4 1 0.80219016 0.60437832 0.54694883 1.0 Sc Sc5 1 0.39562168 0.19780984 0.54694883 1.0 Sc Sc6 1 0.80219016 0.19780984 0.95305117 1.0 Sc Sc7 1 0.80219016 0.60437832 0.95305117 1.0 Sc Sc8 1 0.39562168 0.19780984 0.95305117 1.0 Sc Sc9 1 0.19780984 0.80219016 0.04694883 1.0 Sc Sc10 1 0.19780984 0.39562168 0.04694883 1.0 Sc Sc11 1 0.60437832 0.80219016 0.04694883 1.0 Sc Sc12 1 0.53862252 0.46137748 0.25000000 1.0 Sc Sc13 1 0.53862252 0.07724404 0.25000000 1.0 Sc Sc14 1 0.92275596 0.46137748 0.25000000 1.0 Sc Sc15 1 0.46137748 0.53862252 0.75000000 1.0 Sc Sc16 1 0.46137748 0.92275596 0.75000000 1.0 Sc Sc17 1 0.07724404 0.53862252 0.75000000 1.0 Tc Tc18 1 0.89437836 0.10562164 0.25000000 1.0 Tc Tc19 1 0.89437836 0.78875672 0.25000000 1.0 Tc Tc20 1 0.21124328 0.10562164 0.25000000 1.0 Tc Tc21 1 0.10562164 0.89437836 0.75000000 1.0 Tc Tc22 1 0.10562164 0.21124328 0.75000000 1.0 Tc Tc23 1 0.78875672 0.89437836 0.75000000 1.0 Tc Tc24 1 0.00000000 0.00000000 0.50000000 1.0 Tc Tc25 1 0.00000000 0.00000000 0.00000000 1.0 P P26 1 0.33333300 0.66666700 0.25000000 1.0 P P27 1 0.66666700 0.33333300 0.75000000 1.0