# generated using pymatgen data_Sc9Tc3W _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.68910737 _cell_length_b 8.68910731 _cell_length_c 8.26084607 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999642 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc9Tc3W _chemical_formula_sum 'Sc18 Tc6 W2' _cell_volume 540.13895723 _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 0.40132547 0.20066324 0.05500172 1.0 Sc Sc1 1 0.79933676 0.20066324 0.05500172 1.0 Sc Sc2 1 0.79933576 0.59867353 0.05500172 1.0 Sc Sc3 1 0.09560554 0.54780227 0.25000000 1.0 Sc Sc4 1 0.45219773 0.54780227 0.25000000 1.0 Sc Sc5 1 0.45219773 0.90439546 0.25000000 1.0 Sc Sc6 1 0.40132547 0.20066324 0.44499828 1.0 Sc Sc7 1 0.79933676 0.20066324 0.44499828 1.0 Sc Sc8 1 0.79933576 0.59867353 0.44499828 1.0 Sc Sc9 1 0.20066324 0.40132647 0.55500272 1.0 Sc Sc10 1 0.20066224 0.79933676 0.55500272 1.0 Sc Sc11 1 0.59867453 0.79933676 0.55500272 1.0 Sc Sc12 1 0.54780127 0.09560454 0.75000100 1.0 Sc Sc13 1 0.54780227 0.45219773 0.75000100 1.0 Sc Sc14 1 0.90439546 0.45219773 0.75000100 1.0 Sc Sc15 1 0.20066324 0.40132647 0.94499728 1.0 Sc Sc16 1 0.20066224 0.79933676 0.94499728 1.0 Sc Sc17 1 0.59867453 0.79933676 0.94499728 1.0 Tc Tc18 1 0.10901447 0.21802893 0.25000000 1.0 Tc Tc19 1 0.10901347 0.89098553 0.25000000 1.0 Tc Tc20 1 0.78197207 0.89098553 0.25000000 1.0 Tc Tc21 1 0.21802893 0.10901447 0.75000100 1.0 Tc Tc22 1 0.89098553 0.10901447 0.75000100 1.0 Tc Tc23 1 0.89098453 0.78197107 0.75000100 1.0 W W24 1 0.00000000 0.00000000 0.00000000 1.0 W W25 1 0.00000000 0.00000000 0.50000000 1.0