data_BaIn2Re
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.72
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIn2Re
_chemical_formula_sum   'Ba1 In2 Re1'
_cell_volume   99.13
_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  0.0  1.0
  In  In1  1  0.59  0.86  0.58  1.0
  In  In2  1  0.53  0.86  0.62  1.0
  Re  Re3  1  0.93  0.0  0.1  1.0

data_BaIn2Re
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   3.72
_cell_length_c   8.2
_cell_angle_alpha   90.0
_cell_angle_beta   90.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaIn2Re
_chemical_formula_sum   'Ba1 In2 Re1'
_cell_volume   99.13
_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  0.0  1.0
  In  In1  1  0.53  0.86  0.62  1.0
  In  In2  1  0.59  0.86  0.58  1.0
  Re  Re3  1  0.93  0.0  0.1  1.0

Ba In In Re