data_GaRe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.83
_cell_length_b   3.93
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   94.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRe2Au
_chemical_formula_sum   'Ga1 Re2 Au1'
_cell_volume   64.08
_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  Ga1  1  0.05  0.0  0.34  1.0
  Re  Re2  1  0.71  0.96  0.11  1.0
  Re  Re3  1  0.26  0.0  0.26  1.0
  Au  Au0  1  0.89  0.96  0.93  1.0

data_GaRe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.83
_cell_length_b   3.93
_cell_length_c   5.78
_cell_angle_alpha   90.0
_cell_angle_beta   94.96
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRe2Au
_chemical_formula_sum   'Ga1 Re2 Au1'
_cell_volume   64.08
_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  0.05  0.0  0.34  1.0
  Re  Re1  1  0.26  0.0  0.26  1.0
  Re  Re2  1  0.71  0.96  0.11  1.0
  Au  Au3  1  0.89  0.96  0.93  1.0

Ga Re Re Au
Ga Re Re Au 0 2 o o o 1 3 o o - 