data_AlRe2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   5.37
_cell_angle_alpha   98.68
_cell_angle_beta   98.68
_cell_angle_gamma   37.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRe2Bi
_chemical_formula_sum   'Al1 Re2 Bi1'
_cell_volume   72.26
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.74  0.0  0.29  1.0
  Re  Re3  1  0.38  0.0  0.01  1.0
  Bi  Bi1  1  0.06  0.0  0.65  1.0

data_AlRe2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   4.74
_cell_length_c   5.37
_cell_angle_alpha   98.68
_cell_angle_beta   90.0
_cell_angle_gamma   108.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRe2Bi
_chemical_formula_sum   'Al1 Re2 Bi1'
_cell_volume   72.26
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.26  0.71  1.0
  Re  Re2  1  0.0  0.62  0.99  1.0
  Bi  Bi3  1  0.0  0.94  0.35  1.0

Al Re Re Bi
Al Re Re Bi 0 1 - o o 0 2 o o o 0 3 o o - 1 2 o o o 1 3 + o o 2 3 o o - 