data_[Si1P1Au1I1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Si  1.9000  1.1000  0.5400
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.6522]
_cell_length_b [3.6565]
_cell_length_c [8.4871]
_cell_angle_alpha [82.0471]
_cell_angle_beta [89.1210]
_cell_angle_gamma [60.0218]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SiPAuI]
_chemical_formula_sum '[Si1 P1 Au1 I1]'
_cell_volume [97.0406]
_cell_formula_units_Z [1]
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
[
  Si  Si0  1  0.6672  0.9901  0.1169  1
  P  P1  1  0.3200  0.6922  0.9922  1
  Au  Au2  1  0.2766  0.7576  0.3112  1
  I  I3  1  0.3524  0.5868  0.6321  1
]