data_[Au6Se4F2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Pnc2]
_cell_length_a [19.2377]
_cell_length_b [8.6532]
_cell_length_c [7.2694]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [30]
_chemical_formula_structural [Au3Se2F]
_chemical_formula_sum '[Au6 Se4 F2]'
_cell_volume [1210.1258]
_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
[
  Au  Au0  4  0.0621  0.1416  0.6778  1
  Au  Au1  2  0.0000  0.0000  0.9703  1
  Se  Se2  4  0.1102  0.1410  0.9956  1
  F  F3  2  0.0000  0.0000  0.4855  1
]