data_BaRe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   8.53
_cell_length_c   8.53
_cell_angle_alpha   21.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRe2Cl
_chemical_formula_sum   'Ba1 Re2 Cl1'
_cell_volume   88.08
_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  0.62  0.0  0.4  1.0
  Re  Re2  1  0.62  0.0  0.2  1.0
  Re  Re3  1  0.0  0.0  0.63  1.0
  Cl  Cl1  1  0.0  0.0  0.54  1.0

data_BaRe2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   8.53
_cell_angle_alpha   100.96
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaRe2Cl
_chemical_formula_sum   'Ba1 Re2 Cl1'
_cell_volume   88.08
_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  0.38  0.4  0.4  1.0
  Re  Re1  1  0.0  0.63  0.63  1.0
  Re  Re2  1  0.38  0.2  0.2  1.0
  Cl  Cl3  1  0.0  0.54  0.54  1.0

Ba Re Re Cl