data_Ag2PBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.38
_cell_length_b   7.38
_cell_length_c   7.38
_cell_angle_alpha   150.38
_cell_angle_beta   150.38
_cell_angle_gamma   42.38
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2PBr
_chemical_formula_sum   'Ag2 P1 Br1'
_cell_volume   97.78
_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  0.89  0.0  0.44  1.0
  Ag  Ag1  1  0.0  0.0  0.88  1.0
  P  P3  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.0  0.89  0.44  1.0

data_Ag2PBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   7.38
_cell_angle_alpha   104.81
_cell_angle_beta   104.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ag2PBr
_chemical_formula_sum   'Ag2 P1 Br1'
_cell_volume   97.78
_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  0.44  0.55  0.55  1.0
  Ag  Ag1  1  0.88  0.88  0.88  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.55  0.44  0.55  1.0

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