data_SrAl2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.63
_cell_length_b   4.63
_cell_length_c   6.5
_cell_angle_alpha   95.58
_cell_angle_beta   95.58
_cell_angle_gamma   36.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Re
_chemical_formula_sum   'Sr1 Al2 Re1'
_cell_volume   82.51
_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
  Sr  Sr3  1  0.0  0.0  0.0  1.0
  Al  Al0  1  0.61  0.0  0.35  1.0
  Al  Al1  1  0.52  0.0  0.11  1.0
  Re  Re2  1  0.07  0.0  0.23  1.0

data_SrAl2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.9
_cell_length_b   4.63
_cell_length_c   6.5
_cell_angle_alpha   95.58
_cell_angle_beta   90.0
_cell_angle_gamma   108.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAl2Re
_chemical_formula_sum   'Sr1 Al2 Re1'
_cell_volume   82.51
_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
  Sr  Sr0  1  0.0  0.0  0.0  1.0
  Al  Al1  1  0.0  0.39  0.65  1.0
  Al  Al2  1  0.0  0.48  0.89  1.0
  Re  Re3  1  0.0  0.93  0.77  1.0

Sr Al Al Re
Sr Al Al Re 0 3 o o o 1 2 o o o 