# generated using pymatgen data_ZnCu4(SnSe4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.96508382 _cell_length_b 6.96508382 _cell_length_c 11.40275936 _cell_angle_alpha 65.92068307 _cell_angle_beta 65.92068307 _cell_angle_gamma 48.37804414 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCu4(SnSe4)2 _chemical_formula_sum 'Zn1 Cu4 Sn2 Se8' _cell_volume 369.85373137 _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 Zn Zn0 1 0.00100800 0.99899200 0.50000000 1.0 Cu Cu1 1 0.76444500 0.74196600 0.37040700 1.0 Cu Cu2 1 0.73808000 0.75445400 0.88089600 1.0 Cu Cu3 1 0.24554600 0.26192000 0.11910400 1.0 Cu Cu4 1 0.25803400 0.23555500 0.62959300 1.0 Sn Sn5 1 0.50297500 0.49665500 0.24197200 1.0 Sn Sn6 1 0.50334500 0.49702500 0.75802800 1.0 Se Se7 1 0.37879700 0.89065900 0.31079300 1.0 Se Se8 1 0.36584000 0.89787000 0.81701500 1.0 Se Se9 1 0.62725200 0.10325100 0.44538800 1.0 Se Se10 1 0.63656700 0.10193300 0.94916300 1.0 Se Se11 1 0.10213000 0.63416000 0.18298500 1.0 Se Se12 1 0.10934100 0.62120300 0.68920700 1.0 Se Se13 1 0.89806700 0.36343300 0.05083700 1.0 Se Se14 1 0.89674900 0.37274800 0.55461200 1.0