data_AlCuW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.98
_cell_length_b   4.98
_cell_length_c   4.98
_cell_angle_alpha   135.72
_cell_angle_beta   135.72
_cell_angle_gamma   64.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCuW2
_chemical_formula_sum   'Al1 Cu1 W2'
_cell_volume   59.56
_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
  Cu  Cu1  1  0.0  0.0  0.22  1.0
  W  W2  1  0.0  0.88  0.11  1.0
  W  W3  1  0.88  0.0  0.11  1.0

data_AlCuW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   4.98
_cell_angle_alpha   90.0
_cell_angle_beta   122.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AlCuW2
_chemical_formula_sum   'Al2 Cu2 W4'
_cell_volume   119.11
_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  0.0  1.0
  Cu  Cu1  2  0.28  0.5  0.78  1.0
  W  W2  4  0.33  0.44  0.77  1.0

Al Cu W W