data_Sr2AlRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   132.76
_cell_angle_beta   132.76
_cell_angle_gamma   69.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2AlRe
_chemical_formula_sum   'Sr2 Al1 Re1'
_cell_volume   100.41
_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
  Sr  Sr2  1  0.0  0.3  0.37  1.0
  Sr  Sr3  1  0.3  0.0  0.37  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.0  0.74  1.0

data_Sr2AlRe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.51
_cell_length_b   6.51
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   124.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2AlRe
_chemical_formula_sum   'Sr4 Al2 Re2'
_cell_volume   200.83
_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
  Sr  Sr0  4  0.35  0.35  0.07  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  Re  Re2  2  0.0  0.0  0.74  1.0

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