data_BaP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51
_cell_length_b   6.27
_cell_length_c   3.72
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaP
_chemical_formula_sum   'Ba2 P2'
_cell_volume   128.45
_cell_formula_units_Z   2
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
  Ba  Ba0  1  0.75  0.0  0.37  1.0
  Ba  Ba1  1  0.0  0.13  0.35  1.0
  P  P2  1  0.0  0.0  0.42  1.0
  P  P3  1  0.75  0.13  0.3  1.0

data_BaP
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.72
_cell_length_b   5.51
_cell_length_c   6.27
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   BaP
_chemical_formula_sum   'Ba2 P2'
_cell_volume   128.45
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Ba  Ba0  2  0.01  0.38  0.93  1.0
  P  P1  2  0.06  0.62  0.93  1.0

Ba Ba P P
BaP crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one BaP cluster. Ba(1) is bonded in a distorted L-shaped geometry to two equivalent P(1) atoms. There is one shorter (0.88 Å) and one longer (1.37 Å) Ba(1)-P(1) bond length. P(1) is bonded in a distorted L-shaped geometry to two equivalent Ba(1) atoms.