# generated using pymatgen data_Th4Cu6Sn7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42046100 _cell_length_b 4.42046100 _cell_length_c 19.76798600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Th4Cu6Sn7 _chemical_formula_sum 'Th4 Cu6 Sn7' _cell_volume 386.27584518 _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 Th Th0 1 0.50000000 0.50000000 0.37691200 1.0 Th Th1 1 0.50000000 0.50000000 0.89420500 1.0 Th Th2 1 0.00000000 0.00000000 0.11373900 1.0 Th Th3 1 0.00000000 0.00000000 0.62152700 1.0 Cu Cu4 1 0.50000000 0.00000000 0.01120200 1.0 Cu Cu5 1 0.50000000 0.00000000 0.49430200 1.0 Cu Cu6 1 0.00000000 0.50000000 0.01120200 1.0 Cu Cu7 1 0.00000000 0.50000000 0.49430200 1.0 Cu Cu8 1 0.50000000 0.50000000 0.15460300 1.0 Cu Cu9 1 0.50000000 0.50000000 0.68944400 1.0 Sn Sn10 1 0.50000000 0.00000000 0.24599800 1.0 Sn Sn11 1 0.50000000 0.00000000 0.76482200 1.0 Sn Sn12 1 0.00000000 0.50000000 0.24599800 1.0 Sn Sn13 1 0.00000000 0.50000000 0.76482200 1.0 Sn Sn14 1 0.50000000 0.50000000 0.56303100 1.0 Sn Sn15 1 0.00000000 0.00000000 0.41606700 1.0 Sn Sn16 1 0.00000000 0.00000000 0.93492400 1.0