data_AlBP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.64
_cell_length_b   3.99
_cell_length_c   3.99
_cell_angle_alpha   73.2
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBP
_chemical_formula_sum   'Al1 B1 P1'
_cell_volume   40.17
_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  0.32  0.0  0.35  1.0
  B  B1  1  0.0  0.0  0.34  1.0
  P  P2  1  0.32  0.0  0.12  1.0

data_AlBP
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.64
_cell_length_b   3.99
_cell_length_c   3.99
_cell_angle_alpha   106.8
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlBP
_chemical_formula_sum   'Al1 B1 P1'
_cell_volume   40.17
_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  0.68  0.0  0.65  1.0
  B  B1  1  0.0  0.0  0.66  1.0
  P  P2  1  0.68  0.0  0.88  1.0

Al B P
Al B P 0 1 o o o 0 2 o o o 