data_AlAgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   129.27
_cell_angle_beta   129.27
_cell_angle_gamma   74.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgW2
_chemical_formula_sum   'Al1 Ag1 W2'
_cell_volume   64.59
_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  Al1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.06  0.91  1.0
  W  W2  1  0.06  0.0  0.91  1.0
  W  W3  1  0.0  0.0  0.82  1.0

data_AlAgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.11
_cell_length_b   4.11
_cell_length_c   4.8
_cell_angle_alpha   115.36
_cell_angle_beta   115.36
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlAgW2
_chemical_formula_sum   'Al1 Ag1 W2'
_cell_volume   64.59
_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
  Ag  Ag1  1  0.15  0.06  0.15  1.0
  W  W2  1  0.09  0.0  0.15  1.0
  W  W3  1  0.18  0.0  0.18  1.0

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