data_[Sn8P2Au6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sn  1.9600  1.4500  0.8300
  P  2.1900  1.0000  0.5500
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [8.2621]
_cell_length_b [11.4236]
_cell_length_c [3.9540]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sn4PAu3]
_chemical_formula_sum '[Sn8 P2 Au6]'
_cell_volume [373.1858]
_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
[
  Sn  Sn0  4  0.0000  0.2408  0.5000  1
  Sn  Sn1  4  0.2390  0.0000  0.0000  1
  P  P2  2  0.0000  0.0000  0.5000  1
  Au  Au3  4  0.2500  0.2500  0.0000  1
  Au  Au4  2  0.0000  0.5000  0.5000  1
]