data_AgW2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.25
_cell_length_b   3.25
_cell_length_c   9.23
_cell_angle_alpha   104.32
_cell_angle_beta   104.32
_cell_angle_gamma   58.69
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgW2Br
_chemical_formula_sum   'Ag1 W2 Br1'
_cell_volume   80.08
_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
  Ag  Ag0  1  0.4  0.0  0.64  1.0
  W  W2  1  0.79  0.0  0.63  1.0
  W  W3  1  0.63  0.0  0.92  1.0
  Br  Br1  1  0.14  0.0  0.95  1.0

data_AgW2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   3.25
_cell_length_c   9.0
_cell_angle_alpha   83.82
_cell_angle_beta   79.8
_cell_angle_gamma   60.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgW2Br
_chemical_formula_sum   'Ag1 W2 Br1'
_cell_volume   80.08
_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
  Ag  Ag0  1  0.0  0.77  0.64  1.0
  W  W1  1  0.0  0.16  0.63  1.0
  W  W2  1  0.0  0.71  0.92  1.0
  Br  Br3  1  0.0  0.19  0.95  1.0

Ag W W Br
Ag W W Br 0 1 o o o 2 3 o o o 2 3 + o o 