data_AlGaRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.92
_cell_length_b   8.92
_cell_length_c   8.92
_cell_angle_alpha   18.35
_cell_angle_beta   18.35
_cell_angle_gamma   18.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlGaRe2
_chemical_formula_sum   'Al1 Ga1 Re2'
_cell_volume   61.41
_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
  Al  Al0  1  0.0  0.0  0.07  1.0
  Ga  Ga1  1  0.0  0.0  0.63  1.0
  Re  Re2  1  0.0  0.0  0.06  1.0
  Re  Re3  1  0.0  0.0  0.68  1.0

data_AlGaRe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.93
_cell_length_b   2.84
_cell_length_c   8.92
_cell_angle_alpha   90.0
_cell_angle_beta   100.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlGaRe2
_chemical_formula_sum   'Al2 Ga2 Re4'
_cell_volume   122.82
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Al  Al0  2  0.0  0.0  0.93  1.0
  Ga  Ga1  2  0.0  0.0  0.37  1.0
  Re  Re2  2  0.0  0.0  0.32  1.0
  Re  Re3  2  0.0  0.0  0.94  1.0

Al Ga Re Re