data_AlRe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   2.75
_cell_angle_alpha   101.95
_cell_angle_beta   101.95
_cell_angle_gamma   115.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRe2W
_chemical_formula_sum   'Al1 Re2 W1'
_cell_volume   60.55
_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  0.83  0.82  0.27  1.0
  Re  Re2  1  0.83  0.18  0.27  1.0
  W  W3  1  0.74  0.0  0.0  1.0

data_AlRe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   5.08
_cell_length_c   5.15
_cell_angle_alpha   117.44
_cell_angle_beta   101.95
_cell_angle_gamma   96.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlRe2W
_chemical_formula_sum   'Al1 Re2 W1'
_cell_volume   60.55
_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  0.08  0.82  0.65  1.0
  Re  Re2  1  0.45  0.18  0.02  1.0
  W  W3  1  0.0  0.0  0.74  1.0

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