# generated using pymatgen data_Sc6Zn16Cu7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.50850721 _cell_length_b 8.50850703 _cell_length_c 8.50850757 _cell_angle_alpha 60.00000164 _cell_angle_beta 60.00000237 _cell_angle_gamma 60.00000302 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc6Zn16Cu7 _chemical_formula_sum 'Sc6 Zn16 Cu7' _cell_volume 435.55715078 _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 0.70365374 0.29634626 0.29634626 1.0 Sc Sc1 1 0.70365374 0.29634626 0.70365374 1.0 Sc Sc2 1 0.70365374 0.70365374 0.29634626 1.0 Sc Sc3 1 0.29634626 0.70365374 0.70365374 1.0 Sc Sc4 1 0.29634626 0.70365374 0.29634626 1.0 Sc Sc5 1 0.29634626 0.29634626 0.70365374 1.0 Zn Zn6 1 0.63940388 0.12019871 0.12019871 1.0 Zn Zn7 1 0.12019871 0.63940388 0.12019871 1.0 Zn Zn8 1 0.12019871 0.12019871 0.63940388 1.0 Zn Zn9 1 0.12019871 0.12019871 0.12019871 1.0 Zn Zn10 1 0.36059612 0.87980129 0.87980129 1.0 Zn Zn11 1 0.87980129 0.36059612 0.87980129 1.0 Zn Zn12 1 0.87980129 0.87980129 0.36059612 1.0 Zn Zn13 1 0.87980129 0.87980129 0.87980129 1.0 Zn Zn14 1 0.00583861 0.33138713 0.33138713 1.0 Zn Zn15 1 0.33138713 0.00583861 0.33138713 1.0 Zn Zn16 1 0.33138713 0.33138713 0.00583861 1.0 Zn Zn17 1 0.33138713 0.33138713 0.33138713 1.0 Zn Zn18 1 0.99416139 0.66861287 0.66861287 1.0 Zn Zn19 1 0.66861287 0.99416139 0.66861287 1.0 Zn Zn20 1 0.66861287 0.66861287 0.99416139 1.0 Zn Zn21 1 0.66861287 0.66861287 0.66861287 1.0 Cu Cu22 1 0.00000000 0.00000000 0.00000000 1.0 Cu Cu23 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu24 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu25 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu26 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu27 1 0.00000000 0.50000000 0.00000000 1.0 Cu Cu28 1 0.00000000 0.00000000 0.50000000 1.0