# generated using pymatgen data_PaAs2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.01716908 _cell_length_b 4.01716908 _cell_length_c 8.12899977 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural PaAs2 _chemical_formula_sum 'Pa2 As4' _cell_volume 131.18293214 _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 Pa Pa0 1 0.75000000 0.75000000 0.27704800 1.0 Pa Pa1 1 0.25000000 0.25000000 0.72295200 1.0 As As2 1 0.75000000 0.75000000 0.63915568 1.0 As As3 1 0.25000000 0.25000000 0.36084432 1.0 As As4 1 0.25000000 0.75000000 -0.00000000 1.0 As As5 1 0.75000000 0.25000000 -0.00000000 1.0