data_Al2BP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85
_cell_length_b   5.85
_cell_length_c   5.85
_cell_angle_alpha   33.61
_cell_angle_beta   33.61
_cell_angle_gamma   33.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2BP
_chemical_formula_sum   'Al2 B1 P1'
_cell_volume   54.65
_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  0.43  1.0
  Al  Al1  1  0.0  0.0  0.12  1.0
  B  B2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.0  0.0  0.27  1.0

data_Al2BP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.86
_cell_length_b   3.38
_cell_length_c   5.85
_cell_angle_alpha   90.0
_cell_angle_beta   109.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Al2BP
_chemical_formula_sum   'Al4 B2 P2'
_cell_volume   109.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.57  1.0
  Al  Al1  2  0.0  0.0  0.88  1.0
  B  B2  2  0.0  0.0  0.0  1.0
  P  P3  2  0.0  0.0  0.73  1.0

Al Al B P