data_AlMoW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   136.33
_cell_angle_beta   136.33
_cell_angle_gamma   63.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMoW2
_chemical_formula_sum   'Al1 Mo1 W2'
_cell_volume   63.14
_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
  Mo  Mo1  1  0.9  0.0  0.18  1.0
  W  W2  1  0.0  0.0  0.35  1.0
  W  W3  1  0.0  0.9  0.18  1.0

data_AlMoW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.81
_cell_length_b   3.81
_cell_length_c   5.12
_cell_angle_alpha   111.83
_cell_angle_beta   111.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlMoW2
_chemical_formula_sum   'Al1 Mo1 W2'
_cell_volume   63.14
_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
  Mo  Mo1  1  0.18  0.27  0.27  1.0
  W  W2  1  0.27  0.18  0.27  1.0
  W  W3  1  0.35  0.35  0.35  1.0

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