# generated using pymatgen data_Na2CuAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.26473690 _cell_length_b 5.65008250 _cell_length_c 5.65008191 _cell_angle_alpha 101.77724596 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Na2CuAs _chemical_formula_sum 'Na4 Cu2 As2' _cell_volume 164.53036534 _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 Na Na0 1 0.25000000 0.02872372 0.67968926 1.0 Na Na1 1 0.75000000 0.97127628 0.32031074 1.0 Na Na2 1 0.75000000 0.32031074 0.97127628 1.0 Na Na3 1 0.25000000 0.67968926 0.02872372 1.0 Cu Cu4 1 0.50000000 0.50000000 0.50000000 1.0 Cu Cu5 1 -0.00000000 0.50000000 0.50000000 1.0 As As6 1 0.25000000 0.23175157 0.23175157 1.0 As As7 1 0.75000000 0.76824843 0.76824843 1.0