# generated using pymatgen data_AcCuNiAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.36749824 _cell_length_b 4.36749824 _cell_length_c 9.76925538 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural AcCuNiAs2 _chemical_formula_sum 'Ac2 Cu2 Ni2 As4' _cell_volume 186.34894537 _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 Ac Ac0 1 0.00000000 0.50000000 0.75278619 1.0 Ac Ac1 1 0.50000000 0.00000000 0.24721381 1.0 Cu Cu2 1 0.00000000 0.00000000 0.50000000 1.0 Cu Cu3 1 0.50000000 0.50000000 0.50000000 1.0 Ni Ni4 1 0.00000000 0.50000000 0.10617095 1.0 Ni Ni5 1 0.50000000 0.00000000 0.89382905 1.0 As As6 1 0.00000000 0.50000000 0.36219923 1.0 As As7 1 0.00000000 0.00000000 0.00000000 1.0 As As8 1 0.50000000 0.00000000 0.63780077 1.0 As As9 1 0.50000000 0.50000000 0.00000000 1.0