data_BaAgCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.09
_cell_length_b   7.05
_cell_length_c   3.98
_cell_angle_alpha   74.19
_cell_angle_beta   73.09
_cell_angle_gamma   32.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAgCl
_chemical_formula_sum   'Ba1 Ag1 Cl1'
_cell_volume   102.64
_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
  Ba  Ba1  1  0.76  0.86  0.84  1.0
  Ag  Ag0  1  0.76  0.86  0.24  1.0
  Cl  Cl2  1  0.76  0.86  0.88  1.0

data_BaAgCl
_symmetry_space_group_name_H-M   Imm2
_cell_length_a   3.98
_cell_length_b   12.96
_cell_length_c   3.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   44
_chemical_formula_structural   BaAgCl
_chemical_formula_sum   'Ba2 Ag2 Cl2'
_cell_volume   205.42
_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, y, z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z+1/2'
  6  '-x+1/2, -y+1/2, z+1/2'
  7  '-x+1/2, y+1/2, z+1/2'
  8  'x+1/2, -y+1/2, z+1/2'
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
  Ba  Ba0  2  0.0  0.0  0.6  1.0
  Ag  Ag1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.0  0.0  0.65  1.0

Ba Ag Cl