data_AgPb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.54
_cell_length_b   3.91
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   102.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPb2Br
_chemical_formula_sum   'Ag1 Pb2 Br1'
_cell_volume   111.41
_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  0.13  0.0  0.03  1.0
  Pb  Pb2  1  0.05  0.96  0.26  1.0
  Pb  Pb3  1  0.75  0.96  0.79  1.0
  Br  Br1  1  0.0  0.0  0.0  1.0

data_AgPb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.54
_cell_length_b   3.91
_cell_length_c   8.24
_cell_angle_alpha   90.0
_cell_angle_beta   102.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AgPb2Br
_chemical_formula_sum   'Ag1 Pb2 Br1'
_cell_volume   111.41
_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  0.13  0.0  0.03  1.0
  Pb  Pb1  1  0.05  0.96  0.26  1.0
  Pb  Pb2  1  0.75  0.96  0.79  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

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