data_[Ag2Au2Se2]
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 [P1]
_cell_length_a [4.8210]
_cell_length_b [4.9852]
_cell_length_c [6.1115]
_cell_angle_alpha [89.6786]
_cell_angle_beta [86.6122]
_cell_angle_gamma [74.9096]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [AgAuSe]
_chemical_formula_sum '[Ag2 Au2 Se2]'
_cell_volume [141.5611]
_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  1  0.5189  0.3879  0.4917  1.0
  Ag  Ag1  1  0.6588  0.8283  0.7596  1.0
  Au  Au2  1  0.0268  0.2097  0.7724  1.0
  Au  Au3  1  0.4484  0.3790  0.0024  1.0
  Se  Se4  1  0.3016  0.9494  0.4476  1.0
  Se  Se5  1  0.8910  0.5448  0.0992  1.0
]