# generated using pymatgen data_ZrSc3Tc2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.68357051 _cell_length_b 11.06588710 _cell_length_c 4.69013169 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 89.99989463 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZrSc3Tc2 _chemical_formula_sum 'Zr2 Sc6 Tc4' _cell_volume 243.07949992 _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 Zr Zr0 1 0.41665684 0.63509724 0.50000000 1.0 Zr Zr1 1 0.91663845 0.86490399 0.50000000 1.0 Sc Sc2 1 0.41665755 0.13268437 0.00000000 1.0 Sc Sc3 1 0.91666381 0.36732823 0.00000000 1.0 Sc Sc4 1 0.91666231 0.63733815 0.00000000 1.0 Sc Sc5 1 0.41665430 0.86261712 0.00000000 1.0 Sc Sc6 1 0.91664739 0.13637483 0.50000000 1.0 Sc Sc7 1 0.41665255 0.36366196 0.50000000 1.0 Tc Tc8 1 0.91667242 0.99508234 0.00000000 1.0 Tc Tc9 1 0.41668275 0.50491814 0.00000000 1.0 Tc Tc10 1 0.41667113 0.99502124 0.50000000 1.0 Tc Tc11 1 0.91668249 0.50496839 0.50000000 1.0