data_[P4Au2I16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [15.1416]
_cell_length_b [9.8791]
_cell_length_c [7.3908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [P2AuI8]
_chemical_formula_sum '[P4 Au2 I16]'
_cell_volume [1102.3181]
_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
[
  P  P0  4  0.2039  0.0000  0.3337  1
  Au  Au1  2  0.0000  0.0000  0.0000  1
  I  I2  8  0.0799  0.2059  0.2130  1
  I  I3  4  0.1323  0.5000  0.7161  1
  I  I4  4  0.2028  0.0000  0.6675  1
]