data_GeP2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16
_cell_length_b   3.4
_cell_length_c   7.08
_cell_angle_alpha   90.0
_cell_angle_beta   100.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeP2Br
_chemical_formula_sum   'Ge1 P2 Br1'
_cell_volume   98.32
_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
  Ge  Ge1  1  0.82  0.0  0.46  1.0
  P  P2  1  0.78  0.7  0.56  1.0
  P  P3  1  1.0  0.0  0.36  1.0
  Br  Br0  1  0.52  0.7  0.0  1.0

data_GeP2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.4
_cell_length_b   4.16
_cell_length_c   7.08
_cell_angle_alpha   100.7
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GeP2Br
_chemical_formula_sum   'Ge1 P2 Br1'
_cell_volume   98.32
_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
  Ge  Ge0  1  0.0  0.18  0.54  1.0
  P  P1  1  0.0  0.0  0.64  1.0
  P  P2  1  0.3  0.22  0.44  1.0
  Br  Br3  1  0.3  0.48  1.0  1.0

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