# generated using pymatgen data_ScTc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.23587272 _cell_length_b 5.23587322 _cell_length_c 8.63502500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 119.99999968 _symmetry_Int_Tables_number 1 _chemical_formula_structural ScTc2 _chemical_formula_sum 'Sc4 Tc8' _cell_volume 205.00876808 _cell_formula_units_Z 4 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 0.66666700 0.33333400 0.56229600 1.0 Sc Sc1 1 0.33333300 0.66666600 0.43770400 1.0 Sc Sc2 1 0.33333300 0.66666600 0.06229600 1.0 Sc Sc3 1 0.66666700 0.33333400 0.93770400 1.0 Tc Tc4 1 0.00000000 0.00000000 0.50000000 1.0 Tc Tc5 1 0.00000000 0.00000000 0.00000000 1.0 Tc Tc6 1 0.17199700 0.34399400 0.75000000 1.0 Tc Tc7 1 0.17199700 0.82800400 0.75000000 1.0 Tc Tc8 1 0.65600700 0.82800400 0.75000000 1.0 Tc Tc9 1 0.82800300 0.65600600 0.25000000 1.0 Tc Tc10 1 0.82800300 0.17199600 0.25000000 1.0 Tc Tc11 1 0.34399300 0.17199600 0.25000000 1.0