# generated using pymatgen data_Sc2Zn14Cu3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.62524875 _cell_length_b 8.62524912 _cell_length_c 8.55268947 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000960 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sc2Zn14Cu3 _chemical_formula_sum 'Sc4 Zn28 Cu6' _cell_volume 551.03168277 _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 Sc Sc0 1 0.00000000 0.00000000 0.25000000 1.0 Sc Sc1 1 0.00000000 0.00000000 0.75000000 1.0 Sc Sc2 1 0.33333300 0.66666700 0.75000000 1.0 Sc Sc3 1 0.66666700 0.33333300 0.25000000 1.0 Zn Zn4 1 0.33333300 0.66666700 0.40388946 1.0 Zn Zn5 1 0.66666700 0.33333300 0.59611054 1.0 Zn Zn6 1 0.66666700 0.33333300 0.90388946 1.0 Zn Zn7 1 0.33333300 0.66666700 0.09611054 1.0 Zn Zn8 1 0.33266338 0.36515581 0.25000000 1.0 Zn Zn9 1 0.63484419 0.96750757 0.25000000 1.0 Zn Zn10 1 0.03249243 0.66733662 0.25000000 1.0 Zn Zn11 1 0.63484419 0.66733662 0.25000000 1.0 Zn Zn12 1 0.03249243 0.36515581 0.25000000 1.0 Zn Zn13 1 0.33266338 0.96750757 0.25000000 1.0 Zn Zn14 1 0.66733662 0.63484419 0.75000000 1.0 Zn Zn15 1 0.36515581 0.03249243 0.75000000 1.0 Zn Zn16 1 0.96750757 0.33266338 0.75000000 1.0 Zn Zn17 1 0.36515581 0.33266338 0.75000000 1.0 Zn Zn18 1 0.96750757 0.63484419 0.75000000 1.0 Zn Zn19 1 0.66733662 0.03249243 0.75000000 1.0 Zn Zn20 1 0.16525631 0.83474369 0.52073403 1.0 Zn Zn21 1 0.16525631 0.33051263 0.52073403 1.0 Zn Zn22 1 0.66948737 0.83474369 0.52073403 1.0 Zn Zn23 1 0.83474369 0.16525631 0.47926597 1.0 Zn Zn24 1 0.83474369 0.66948737 0.47926597 1.0 Zn Zn25 1 0.33051263 0.16525631 0.47926597 1.0 Zn Zn26 1 0.83474369 0.16525631 0.02073403 1.0 Zn Zn27 1 0.83474369 0.66948737 0.02073403 1.0 Zn Zn28 1 0.33051263 0.16525631 0.02073403 1.0 Zn Zn29 1 0.16525631 0.83474369 0.97926597 1.0 Zn Zn30 1 0.16525631 0.33051263 0.97926597 1.0 Zn Zn31 1 0.66948737 0.83474369 0.97926597 1.0 Cu Cu32 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu33 1 0.50000000 0.00000000 0.50000000 1.0 Cu Cu34 1 0.00000000 0.50000000 0.50000000 1.0 Cu Cu35 1 0.50000000 0.50000000 0.00000000 1.0 Cu Cu36 1 0.50000000 0.00000000 0.00000000 1.0 Cu Cu37 1 0.00000000 0.50000000 0.00000000 1.0