data_Ba2InRe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.9
_cell_length_b   5.9
_cell_length_c   3.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2InRe
_chemical_formula_sum   'Ba2 In1 Re1'
_cell_volume   133.14
_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  0.06  0.89  0.91  1.0
  Ba  Ba1  1  0.06  0.11  0.91  1.0
  In  In2  1  0.0  0.0  0.0  1.0
  Re  Re3  1  0.13  0.0  0.0  1.0

data_Ba2InRe
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.83
_cell_length_b   5.9
_cell_length_c   5.9
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   Ba2InRe
_chemical_formula_sum   'Ba2 In1 Re1'
_cell_volume   133.17
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  2  0.91  0.11  0.06  1.0
  In  In1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.0  0.0  0.13  1.0

Ba Ba In Re