data_AgBr2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.32
_cell_length_b   8.32
_cell_length_c   8.32
_cell_angle_alpha   152.58
_cell_angle_beta   152.58
_cell_angle_gamma   39.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgBr2Cl
_chemical_formula_sum   'Ag1 Br2 Cl1'
_cell_volume   122.08
_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  0.0  0.84  1.0
  Br  Br1  1  0.0  0.97  0.92  1.0
  Br  Br2  1  0.97  0.0  0.92  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

data_AgBr2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.58
_cell_length_b   5.58
_cell_length_c   8.32
_cell_angle_alpha   90.0
_cell_angle_beta   109.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   AgBr2Cl
_chemical_formula_sum   'Ag2 Br4 Cl2'
_cell_volume   244.16
_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  0.34  0.5  0.84  1.0
  Br  Br1  4  0.43  0.49  0.95  1.0
  Cl  Cl2  2  0.0  0.0  0.0  1.0

Ag Br Br Cl
Ag Br Br Cl 0 2 - o o 0 1 o - o 1 2 - + o 1 3 o + + 2 3 + o + 