data_GaRe2Au
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.78
_cell_length_b   4.78
_cell_length_c   4.91
_cell_angle_alpha   96.94
_cell_angle_beta   96.94
_cell_angle_gamma   34.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRe2Au
_chemical_formula_sum   'Ga1 Re2 Au1'
_cell_volume   62.88
_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  0.65  0.0  0.26  1.0
  Re  Re2  1  0.5  0.0  0.76  1.0
  Re  Re3  1  0.84  0.0  0.82  1.0
  Au  Au0  1  0.3  0.0  0.34  1.0

data_GaRe2Au
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.82
_cell_length_b   4.78
_cell_length_c   4.91
_cell_angle_alpha   96.94
_cell_angle_beta   90.0
_cell_angle_gamma   107.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaRe2Au
_chemical_formula_sum   'Ga1 Re2 Au1'
_cell_volume   62.88
_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  0.35  0.74  1.0
  Re  Re1  1  0.0  0.16  0.18  1.0
  Re  Re2  1  0.0  0.5  0.24  1.0
  Au  Au3  1  0.0  0.7  0.66  1.0

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