data_[Sn2P2Au2Se6]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9323]
_cell_length_b [7.2089]
_cell_length_c [8.7729]
_cell_angle_alpha [67.7302]
_cell_angle_beta [87.1857]
_cell_angle_gamma [61.3987]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SnPAuSe3]
_chemical_formula_sum '[Sn2 P2 Au2 Se6]'
_cell_volume [351.4532]
_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  2  0.2935  0.1079  0.1777  1.0
  P  P1  2  0.1303  0.3937  0.6704  1.0
  Au  Au2  2  0.1450  0.8138  0.9356  1.0
  Se  Se3  2  0.1978  0.5315  0.2274  1.0
  Se  Se4  2  0.2623  0.0230  0.6821  1.0
  Se  Se5  2  0.3780  0.3339  0.8731  1.0
]