data_BaAlRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlRe2
_chemical_formula_sum   'Ba1 Al1 Re2'
_cell_volume   76.95
_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
  Ba  Ba1  1  0.0  0.0  0.85  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.78  0.0  0.77  1.0
  Re  Re3  1  0.78  0.0  0.94  1.0

data_BaAlRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   9.7
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAlRe2
_chemical_formula_sum   'Ba1 Al1 Re2'
_cell_volume   76.95
_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
  Ba  Ba0  1  0.0  0.0  0.85  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.78  0.0  0.77  1.0
  Re  Re3  1  0.78  0.0  0.94  1.0

Ba Al Re Re