data_AlCr2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   4.89
_cell_angle_alpha   93.28
_cell_angle_beta   93.28
_cell_angle_gamma   32.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2W
_chemical_formula_sum   'Al1 Cr2 W1'
_cell_volume   55.1
_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
  Cr  Cr1  1  0.01  0.0  0.71  1.0
  Cr  Cr2  1  0.43  0.0  0.18  1.0
  W  W3  1  0.22  0.0  0.44  1.0

data_AlCr2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.56
_cell_length_c   4.89
_cell_angle_alpha   93.28
_cell_angle_beta   90.0
_cell_angle_gamma   106.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlCr2W
_chemical_formula_sum   'Al1 Cr2 W1'
_cell_volume   55.1
_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
  Cr  Cr1  1  0.0  0.57  0.82  1.0
  Cr  Cr2  1  0.0  0.99  0.29  1.0
  W  W3  1  0.0  0.78  0.56  1.0

Al Cr Cr W
Al Cr Cr W 0 1 o o - 1 3 o o o 2 3 o o o 