data_Al2PBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2PBr
_chemical_formula_sum   'Al2 P1 Br1'
_cell_volume   87.75
_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  0.84  0.0  0.02  1.0
  Al  Al1  1  0.0  0.0  0.97  1.0
  P  P3  1  0.0  0.0  0.53  1.0
  Br  Br2  1  0.84  0.0  0.13  1.0

data_Al2PBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   9.1
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2PBr
_chemical_formula_sum   'Al2 P1 Br1'
_cell_volume   87.75
_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  0.97  1.0
  Al  Al1  1  0.84  0.0  0.02  1.0
  P  P2  1  0.0  0.0  0.53  1.0
  Br  Br3  1  0.84  0.0  0.13  1.0

Al Al P Br