# generated using pymatgen data_Sc8Ga5Si11Tc12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.62309684 _cell_length_b 6.69474133 _cell_length_c 12.40613700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.38740961 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc8Ga5Si11Tc12 _chemical_formula_sum 'Sc8 Ga5 Si11 Tc12' _cell_volume 550.05568276 _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 0.48921284 0.32914751 0.09325646 1.0 Sc Sc1 1 0.99693417 0.17203484 0.40847017 1.0 Sc Sc2 1 0.50502877 0.66766324 0.59023044 1.0 Sc Sc3 1 0.01272066 0.83034958 0.91093028 1.0 Sc Sc4 1 0.50502877 0.66766324 0.90976956 1.0 Sc Sc5 1 0.01272066 0.83034958 0.58906972 1.0 Sc Sc6 1 0.48921284 0.32914751 0.40674354 1.0 Sc Sc7 1 0.99693417 0.17203484 0.09152983 1.0 Ga Ga8 1 0.52133700 0.36392847 0.75000000 1.0 Ga Ga9 1 0.01957545 0.13148510 0.75000000 1.0 Ga Ga10 1 0.47016453 0.64881239 0.25000000 1.0 Ga Ga11 1 0.99453143 0.87065882 0.25000000 1.0 Ga Ga12 1 0.80469813 0.64604836 0.75000000 1.0 Si Si13 1 0.66001649 0.04491817 0.54870810 1.0 Si Si14 1 0.15595596 0.44956546 0.94839560 1.0 Si Si15 1 0.34525888 0.94361322 0.05405445 1.0 Si Si16 1 0.83100807 0.54415762 0.45244248 1.0 Si Si17 1 0.34525888 0.94361322 0.44594555 1.0 Si Si18 1 0.83100807 0.54415762 0.04755752 1.0 Si Si19 1 0.66001649 0.04491817 0.95129190 1.0 Si Si20 1 0.15595596 0.44956546 0.55160440 1.0 Si Si21 1 0.30345595 0.85366937 0.75000000 1.0 Si Si22 1 0.19452196 0.37251255 0.25000000 1.0 Si Si23 1 0.70248969 0.14920284 0.25000000 1.0 Tc Tc24 1 0.82064785 0.34383905 0.61688888 1.0 Tc Tc25 1 0.32148850 0.14182817 0.88131825 1.0 Tc Tc26 1 0.15893271 0.64406673 0.11093017 1.0 Tc Tc27 1 0.69537993 0.85767455 0.37947207 1.0 Tc Tc28 1 0.15893271 0.64406673 0.38906983 1.0 Tc Tc29 1 0.69537993 0.85767455 0.12052793 1.0 Tc Tc30 1 0.82064785 0.34383905 0.88311112 1.0 Tc Tc31 1 0.32148850 0.14182817 0.61868175 1.0 Tc Tc32 1 0.65362044 0.99253014 0.75000000 1.0 Tc Tc33 1 0.16803407 0.51225721 0.75000000 1.0 Tc Tc34 1 0.35046070 0.03094197 0.25000000 1.0 Tc Tc35 1 0.83194099 0.49023650 0.25000000 1.0