# generated using pymatgen data_Pa3As4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44639002 _cell_length_b 7.44638940 _cell_length_c 7.44638998 _cell_angle_alpha 109.47123080 _cell_angle_beta 109.47122913 _cell_angle_gamma 109.47121385 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pa3As4 _chemical_formula_sum 'Pa6 As8' _cell_volume 317.84497202 _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 0.87500000 0.12500000 1.0 Pa Pa1 1 0.62500000 0.37500000 0.25000000 1.0 Pa Pa2 1 0.87500000 0.12500000 0.75000000 1.0 Pa Pa3 1 0.12500000 0.75000000 0.87500000 1.0 Pa Pa4 1 0.37500000 0.25000000 0.62500000 1.0 Pa Pa5 1 0.25000000 0.62500000 0.37500000 1.0 As As6 1 0.65634027 0.65634027 0.65634027 1.0 As As7 1 0.34365973 0.50000000 -0.00000000 1.0 As As8 1 0.50000000 -0.00000000 0.34365973 1.0 As As9 1 -0.00000000 0.34365973 0.50000000 1.0 As As10 1 0.50000000 -0.00000000 0.84365973 1.0 As As11 1 -0.00000000 0.84365973 0.50000000 1.0 As As12 1 0.15634027 0.15634027 0.15634027 1.0 As As13 1 0.84365973 0.50000000 -0.00000000 1.0