# generated using pymatgen data_ZnCuAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.17996900 _cell_length_b 5.58497800 _cell_length_c 8.77321500 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ZnCuAs _chemical_formula_sum 'Zn4 Cu4 As4' _cell_volume 204.81101041 _cell_formula_units_Z 4 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 0.77541800 0.03057500 0.84748300 1.0 Zn Zn1 1 0.27541800 0.53057500 0.65251700 1.0 Zn Zn2 1 0.72458200 0.03057500 0.34748300 1.0 Zn Zn3 1 0.22458200 0.53057500 0.15251700 1.0 Cu Cu4 1 0.27572600 0.02176900 0.64965900 1.0 Cu Cu5 1 0.72427400 0.52176900 0.35034100 1.0 Cu Cu6 1 0.22427400 0.02176900 0.14965900 1.0 Cu Cu7 1 0.77572600 0.52176900 0.85034100 1.0 As As8 1 0.27114700 0.77858400 0.90091800 1.0 As As9 1 0.77114700 0.27858400 0.59908200 1.0 As As10 1 0.22885300 0.77858400 0.40091800 1.0 As As11 1 0.72885300 0.27858400 0.09908200 1.0