data_SrAgBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.35
_cell_length_b   4.45
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   108.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAgBr2
_chemical_formula_sum   'Sr1 Ag1 Br2'
_cell_volume   119.16
_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
  Sr  Sr3  1  0.42  0.0  0.88  1.0
  Ag  Ag0  1  0.23  0.23  0.24  1.0
  Br  Br1  1  0.53  0.0  0.27  1.0
  Br  Br2  1  0.61  0.23  0.0  1.0

data_SrAgBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.45
_cell_length_c   6.48
_cell_angle_alpha   90.0
_cell_angle_beta   108.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrAgBr2
_chemical_formula_sum   'Sr1 Ag1 Br2'
_cell_volume   119.16
_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
  Sr  Sr0  1  0.42  0.0  0.88  1.0
  Ag  Ag1  1  0.23  0.23  0.24  1.0
  Br  Br2  1  0.53  0.0  0.27  1.0
  Br  Br3  1  0.61  0.23  0.0  1.0

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