data_AlRe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.85
_cell_length_b   2.85
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRe2Mo
_chemical_formula_sum   'Al1 Re2 Mo1'
_cell_volume   60.4
_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  0.65  1.0
  Re  Re2  1  0.0  0.0  0.1  1.0
  Re  Re3  1  0.43  0.43  0.86  1.0
  Mo  Mo1  1  0.43  0.43  0.55  1.0

data_AlRe2Mo
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.03
_cell_length_b   4.03
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlRe2Mo
_chemical_formula_sum   'Al2 Re4 Mo2'
_cell_volume   120.8
_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
  Al  Al0  2  0.0  0.0  0.65  1.0
  Re  Re1  2  0.0  0.0  0.1  1.0
  Re  Re2  2  0.43  0.0  0.86  1.0
  Mo  Mo3  2  0.43  0.0  0.55  1.0

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