data_FeAgW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.09
_cell_length_b   5.09
_cell_length_c   5.09
_cell_angle_alpha   143.09
_cell_angle_beta   127.36
_cell_angle_gamma   66.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAgW2
_chemical_formula_sum   'Fe1 Ag1 W2'
_cell_volume   61.98
_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
  Fe  Fe1  1  0.0  0.0  0.51  1.0
  Ag  Ag0  1  0.0  0.26  0.1  1.0
  W  W2  1  0.0  0.26  0.18  1.0
  W  W3  1  0.0  0.0  0.01  1.0

data_FeAgW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.51
_cell_length_c   5.09
_cell_angle_alpha   116.32
_cell_angle_beta   108.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeAgW2
_chemical_formula_sum   'Fe1 Ag1 W2'
_cell_volume   61.98
_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
  Fe  Fe0  1  0.49  0.49  0.49  1.0
  Ag  Ag1  1  0.9  0.16  0.16  1.0
  W  W2  1  0.82  0.08  0.08  1.0
  W  W3  1  0.99  0.99  0.99  1.0

Fe Ag W W
Fe Ag W W 0 2 o o o 0 2 o o + 0 2 o - o 0 1 o o + 0 1 o - o 0 3 o o o 0 3 o o + 1 2 o o o 2 3 o o o 