data_AlP2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlP2Br
_chemical_formula_sum   'Al1 P2 Br1'
_cell_volume   83.05
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  P  P2  1  0.08  0.0  0.28  1.0
  P  P3  1  0.08  0.0  0.33  1.0
  Br  Br1  1  0.0  0.0  0.81  1.0

data_AlP2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   3.35
_cell_length_c   7.61
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlP2Br
_chemical_formula_sum   'Al1 P2 Br1'
_cell_volume   83.05
_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
  Al  Al0  1  0.0  0.0  0.0  1.0
  P  P1  1  0.08  0.0  0.28  1.0
  P  P2  1  0.08  0.0  0.33  1.0
  Br  Br3  1  0.0  0.0  0.81  1.0

Al P P Br
Al P P Br 0 3 o o - 1 2 o o o 