data_BaLiRe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   4.68
_cell_angle_alpha   103.85
_cell_angle_beta   103.85
_cell_angle_gamma   28.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiRe2
_chemical_formula_sum   'Ba1 Li1 Re2'
_cell_volume   75.61
_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  0.14  0.0  0.27  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.23  0.0  0.57  1.0
  Re  Re3  1  0.05  0.0  0.96  1.0

data_BaLiRe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.68
_cell_length_c   5.9
_cell_angle_alpha   103.85
_cell_angle_beta   104.33
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaLiRe2
_chemical_formula_sum   'Ba1 Li1 Re2'
_cell_volume   75.61
_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  0.27  0.14  1.0
  Li  Li1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.57  0.23  1.0
  Re  Re3  1  0.0  0.96  0.05  1.0

Ba Li Re Re