data_BaBeP2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeP2
_chemical_formula_sum   'Ba1 Be1 P2'
_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
  Ba  Ba0  1  0.0  0.0  0.34  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.23  0.0  0.05  1.0
  P  P3  1  0.23  0.0  0.64  1.0

data_BaBeP2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   3.57
_cell_length_c   6.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaBeP2
_chemical_formula_sum   'Ba1 Be1 P2'
_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
  Ba  Ba0  1  0.0  0.0  0.34  1.0
  Be  Be1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.23  0.0  0.05  1.0
  P  P3  1  0.23  0.0  0.64  1.0

Ba Be P P
BaBeP2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one BaBeP2 cluster. Ba(1) is bonded in a 2-coordinate geometry to one P(1) and one P(2) atom. The Ba(1)-P(1) bond length is 2.13 Å. The Ba(1)-P(2) bond length is 2.13 Å. Be(1) is bonded in a single-bond geometry to one P(1) atom. The Be(1)-P(1) bond length is 0.91 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a distorted single-bond geometry to one Ba(1) and one Be(1) atom. In the second P site, P(2) is bonded in a distorted single-bond geometry to one Ba(1) atom.