data_[Ag2As2Au2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  Au  2.5400  1.3500  1.0700
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [2.9493]
_cell_length_b [2.9493]
_cell_length_c [14.8913]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [AgAsAu]
_chemical_formula_sum '[Ag2 As2 Au2]'
_cell_volume [112.1774]
_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
[
  Ag  Ag0  2  0.6667  0.3333  0.3381  1
  As  As1  2  0.3333  0.6667  0.8221  1
  Au  Au2  1  0.3333  0.6667  0.0000  1
  Au  Au3  1  0.3333  0.6667  0.5000  1
]