data_Ba4Re5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.93
_cell_length_b   8.93
_cell_length_c   8.93
_cell_angle_alpha   92.47
_cell_angle_beta   92.47
_cell_angle_gamma   156.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba4Re5
_chemical_formula_sum   'Ba4 Re5'
_cell_volume   282.73
_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  0.07  0.0  1.0
  Ba  Ba1  1  0.0  0.27  0.0  1.0
  Ba  Ba2  1  0.27  0.0  0.0  1.0
  Ba  Ba3  1  0.07  0.0  0.0  1.0
  Re  Re4  1  0.0  0.0  0.0  1.0
  Re  Re5  1  0.43  0.57  0.85  1.0
  Re  Re6  1  0.57  0.43  0.85  1.0
  Re  Re7  1  0.61  0.61  0.0  1.0
  Re  Re8  1  0.57  0.57  0.85  1.0

data_Ba4Re5
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.71
_cell_length_b   17.46
_cell_length_c   8.93
_cell_angle_alpha   90.0
_cell_angle_beta   101.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba4Re5
_chemical_formula_sum   'Ba8 Re10'
_cell_volume   565.46
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.36  0.36  -0.0  1.0
  Ba  Ba1  4  0.46  0.46  -0.0  1.0
  Re  Re2  4  0.35  0.07  0.85  1.0
  Re  Re3  2  0.0  0.0  0.0  1.0
  Re  Re4  2  0.29  0.0  0.85  1.0
  Re  Re5  2  0.39  0.0  0.0  1.0

Ba Ba Ba Ba Re Re Re Re Re