data_Al2NiW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   3.51
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2NiW
_chemical_formula_sum   'Al2 Ni1 W1'
_cell_volume   56.23
_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  0.03  1.0
  Al  Al1  1  0.4  0.76  0.56  1.0
  Ni  Ni2  1  0.0  0.0  0.7  1.0
  W  W3  1  0.4  0.76  0.28  1.0

data_Al2NiW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.81
_cell_length_b   3.51
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2NiW
_chemical_formula_sum   'Al2 Ni1 W1'
_cell_volume   56.23
_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  0.03  1.0
  Al  Al1  1  0.4  0.76  0.56  1.0
  Ni  Ni2  1  0.0  0.0  0.7  1.0
  W  W3  1  0.4  0.76  0.28  1.0

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