data_[Au10Se9]
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
]
_symmetry_space_group_name_H-M [P6]
_cell_length_a [7.5182]
_cell_length_b [7.5182]
_cell_length_c [21.4754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [Au10Se9]
_chemical_formula_sum '[Au10 Se9]'
_cell_volume [1051.2330]
_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
[
  Au  Au0  6  0.1474  0.4296  0.4963  1
  Au  Au1  3  0.0000  0.5000  0.6081  1
  Au  Au2  1  0.0000  0.0000  0.6293  1
  Se  Se3  6  0.1453  0.3856  0.3684  1
  Se  Se4  2  0.3333  0.6667  0.6699  1
  Se  Se5  1  0.0000  0.0000  0.5179  1
]