data_AgBrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   7.45
_cell_angle_alpha   154.42
_cell_angle_beta   154.42
_cell_angle_gamma   36.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBrCl
_chemical_formula_sum   'Ag1 Br1 Cl1'
_cell_volume   76.98
_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
  Ag  Ag0  1  0.0  0.0  0.21  1.0
  Br  Br1  1  0.0  0.0  0.18  1.0
  Cl  Cl2  1  0.0  0.0  0.76  1.0

data_AgBrCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   108.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgBrCl
_chemical_formula_sum   'Ag2 Br2 Cl2'
_cell_volume   153.96
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.21  0.0  0.21  1.0
  Br  Br1  2  0.18  0.0  0.18  1.0
  Cl  Cl2  2  0.26  0.5  0.76  1.0

Ag Br Cl
Ag Br Cl 0 1 o o o 0 2 o o - 1 2 o o - 2 2 + o + 2 2 o + + 