data_[Ag2Au4Se2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1073]
_cell_length_b [2.8605]
_cell_length_c [6.7475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3188]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [AgAu2Se]
_chemical_formula_sum '[Ag2 Au4 Se2]'
_cell_volume [174.3517]
_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  0.2308  0.5000  0.7728  1
  Au  Au1  2  0.0304  0.0000  0.9932  1
  Au  Au2  2  0.3166  0.0000  0.1811  1
  Se  Se3  2  0.4222  0.0000  0.5529  1
]