data_GaAu2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.96
_cell_length_b   4.1
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   98.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAu2Se
_chemical_formula_sum   'Ga1 Au2 Se1'
_cell_volume   80.12
_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
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Au  Au0  1  0.01  0.05  0.19  1.0
  Au  Au1  1  0.95  0.05  0.4  1.0
  Se  Se3  1  0.98  0.0  0.29  1.0

data_GaAu2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.96
_cell_length_b   4.1
_cell_length_c   6.66
_cell_angle_alpha   90.0
_cell_angle_beta   98.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaAu2Se
_chemical_formula_sum   'Ga1 Au2 Se1'
_cell_volume   80.12
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Au  Au1  1  0.01  0.05  0.19  1.0
  Au  Au2  1  0.95  0.05  0.4  1.0
  Se  Se3  1  0.98  0.0  0.29  1.0

Ga Au Au Se