# generated using pymatgen data_UFeAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.96521325 _cell_length_b 3.96521325 _cell_length_c 9.55632733 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural UFeAs2 _chemical_formula_sum 'U2 Fe2 As4' _cell_volume 150.25333301 _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 U U0 1 -0.00000000 0.50000000 0.76287515 1.0 U U1 1 0.50000000 -0.00000000 0.23712485 1.0 Fe Fe2 1 0.50000000 0.50000000 0.50000000 1.0 Fe Fe3 1 0.00000000 -0.00000000 0.50000000 1.0 As As4 1 0.50000000 0.50000000 -0.00000000 1.0 As As5 1 -0.00000000 -0.00000000 -0.00000000 1.0 As As6 1 0.00000000 0.50000000 0.33709983 1.0 As As7 1 0.50000000 0.00000000 0.66290017 1.0