data_AgSeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.14
_cell_length_b   5.54
_cell_length_c   4.9
_cell_angle_alpha   90.0
_cell_angle_beta   108.52
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSeBr2
_chemical_formula_sum   'Ag1 Se1 Br2'
_cell_volume   106.47
_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  0.48  0.77  0.65  1.0
  Se  Se3  1  0.78  0.0  0.79  1.0
  Br  Br1  1  0.59  0.0  0.58  1.0
  Br  Br2  1  0.54  0.77  0.58  1.0

data_AgSeBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.14
_cell_length_b   4.9
_cell_length_c   5.54
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   108.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgSeBr2
_chemical_formula_sum   'Ag1 Se1 Br2'
_cell_volume   106.47
_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  0.52  0.35  0.23  1.0
  Se  Se1  1  0.22  0.21  0.0  1.0
  Br  Br2  1  0.41  0.42  0.0  1.0
  Br  Br3  1  0.46  0.42  0.23  1.0

Ag Se Br Br
Ag Se Br Br 0 3 o o o 1 2 o o o 2 3 o - o 