data_AlRe2Mo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRe2Mo
_chemical_formula_sum   'Al1 Re2 Mo1'
_cell_volume   60.76
_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  0.36  0.06  0.44  1.0
  Re  Re3  1  0.36  0.94  0.44  1.0
  Mo  Mo1  1  0.71  0.0  0.0  1.0

data_AlRe2Mo
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.88
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   110.23
_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   60.76
_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  0.44  0.36  0.06  1.0
  Re  Re2  1  0.44  0.36  0.94  1.0
  Mo  Mo3  1  0.0  0.71  0.0  1.0

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