data_AlNi2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2W
_chemical_formula_sum   'Al1 Ni2 W1'
_cell_volume   51.56
_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
  Ni  Ni1  1  0.88  0.0  0.5  1.0
  Ni  Ni2  1  0.88  0.0  0.28  1.0
  W  W3  1  0.0  0.0  0.39  1.0

data_AlNi2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   2.76
_cell_length_c   6.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   94.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlNi2W
_chemical_formula_sum   'Al1 Ni2 W1'
_cell_volume   51.56
_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
  Ni  Ni1  1  0.88  0.0  0.28  1.0
  Ni  Ni2  1  0.88  0.0  0.5  1.0
  W  W3  1  0.0  0.0  0.39  1.0

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