data_[P10Au7I1]
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 [P-31m]
_cell_length_a [6.2790]
_cell_length_b [6.2790]
_cell_length_c [11.2672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [P10Au7I]
_chemical_formula_sum '[P10 Au7 I1]'
_cell_volume [384.7055]
_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
[
  P  P0  6  0.0000  0.3762  0.1990  1.0
  P  P1  4  0.3333  0.6667  0.2918  1.0
  Au  Au2  3  0.0000  0.5000  0.0000  1.0
  Au  Au3  2  0.0000  0.0000  0.2245  1.0
  Au  Au4  2  0.3333  0.6667  0.5000  1.0
  I  I5  1  0.0000  0.0000  0.5000  1.0
]