# generated using pymatgen data_Sc22Tc7Hg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.62502789 _cell_length_b 9.62502827 _cell_length_c 9.36911882 _cell_angle_alpha 60.87568837 _cell_angle_beta 60.87568711 _cell_angle_gamma 59.46365565 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc22Tc7Hg _chemical_formula_sum 'Sc22 Tc7 Hg1' _cell_volume 619.12045678 _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 Sc Sc0 1 0.80057309 0.80057309 0.19942691 1.0 Sc Sc1 1 0.19150379 0.80849621 0.19915527 1.0 Sc Sc2 1 0.80849621 0.19150379 0.19915527 1.0 Sc Sc3 1 0.19942691 0.19942691 0.80057309 1.0 Sc Sc4 1 0.80849621 0.19150379 0.80084473 1.0 Sc Sc5 1 0.19150379 0.80849621 0.80084473 1.0 Sc Sc6 1 0.61179490 0.61179490 0.14838602 1.0 Sc Sc7 1 0.60000640 0.15267941 0.62365710 1.0 Sc Sc8 1 0.15267941 0.60000640 0.62365710 1.0 Sc Sc9 1 0.61179490 0.61179490 0.62802519 1.0 Sc Sc10 1 0.38820510 0.38820510 0.85161398 1.0 Sc Sc11 1 0.39999360 0.84732059 0.37634290 1.0 Sc Sc12 1 0.84732059 0.39999360 0.37634290 1.0 Sc Sc13 1 0.38820510 0.38820510 0.37197481 1.0 Sc Sc14 1 0.83186468 0.83186468 0.47748211 1.0 Sc Sc15 1 0.84843983 0.46080396 0.84537760 1.0 Sc Sc16 1 0.46080396 0.84843983 0.84537760 1.0 Sc Sc17 1 0.83186468 0.83186468 0.85878753 1.0 Sc Sc18 1 0.16813532 0.16813532 0.52251789 1.0 Sc Sc19 1 0.15156017 0.53919604 0.15462240 1.0 Sc Sc20 1 0.53919604 0.15156017 0.15462240 1.0 Sc Sc21 1 0.16813532 0.16813532 0.14121247 1.0 Tc Tc22 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc23 1 0.50000000 0.50000000 0.50000000 1.0 Tc Tc24 1 0.50000000 0.00000000 0.50000000 1.0 Tc Tc25 1 0.00000000 0.50000000 0.50000000 1.0 Tc Tc26 1 0.50000000 0.50000000 0.00000000 1.0 Tc Tc27 1 0.00000000 0.50000000 0.00000000 1.0 Tc Tc28 1 0.50000000 0.00000000 0.00000000 1.0 Hg Hg29 1 0.00000000 0.00000000 0.50000000 1.0