data_Ag2AuSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.04
_cell_length_b   4.11
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2AuSe
_chemical_formula_sum   'Ag2 Au1 Se1'
_cell_volume   75.26
_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
  Ag  Ag0  1  0.52  0.06  0.56  1.0
  Ag  Ag1  1  0.52  0.06  0.46  1.0
  Au  Au2  1  0.0  0.0  0.01  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

data_Ag2AuSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.11
_cell_length_c   6.02
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2AuSe
_chemical_formula_sum   'Ag2 Au1 Se1'
_cell_volume   75.26
_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
  Ag  Ag0  1  0.52  0.06  0.46  1.0
  Ag  Ag1  1  0.52  0.06  0.56  1.0
  Au  Au2  1  0.0  0.0  0.01  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ag Ag Au Se
Ag Ag Au Se 0 1 o o o 2 3 o o o 