data_Ag2PtBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.16
_cell_length_b   3.16
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2PtBr
_chemical_formula_sum   'Ag2 Pt1 Br1'
_cell_volume   78.0
_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  0.58  0.58  0.66  1.0
  Ag  Ag1  1  0.58  0.58  0.15  1.0
  Pt  Pt3  1  0.0  0.0  0.91  1.0
  Br  Br2  1  0.0  0.0  0.0  1.0

data_Ag2PtBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   7.81
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ag2PtBr
_chemical_formula_sum   'Ag4 Pt2 Br2'
_cell_volume   155.99
_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  0.08  0.5  0.15  1.0
  Ag  Ag1  2  0.08  0.5  0.66  1.0
  Pt  Pt2  2  0.0  0.0  0.91  1.0
  Br  Br3  2  0.0  0.0  0.0  1.0

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