data_BaReBi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.42
_cell_length_b   6.42
_cell_length_c   6.34
_cell_angle_alpha   117.47
_cell_angle_beta   117.47
_cell_angle_gamma   32.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaReBi2
_chemical_formula_sum   'Ba1 Re1 Bi2'
_cell_volume   124.37
_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  0.57  0.0  0.63  1.0
  Re  Re3  1  0.76  0.0  0.37  1.0
  Bi  Bi1  1  0.15  0.0  0.53  1.0
  Bi  Bi2  1  0.36  0.0  0.37  1.0

data_BaReBi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.64
_cell_length_b   6.34
_cell_length_c   6.42
_cell_angle_alpha   117.47
_cell_angle_beta   106.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaReBi2
_chemical_formula_sum   'Ba1 Re1 Bi2'
_cell_volume   124.37
_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  0.63  0.57  1.0
  Re  Re1  1  0.0  0.37  0.76  1.0
  Bi  Bi2  1  0.0  0.37  0.36  1.0
  Bi  Bi3  1  0.0  0.53  0.15  1.0

Ba Re Bi Bi