data_Ba2SbP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.84
_cell_length_b   4.84
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2SbP
_chemical_formula_sum   'Ba2 Sb1 P1'
_cell_volume   161.32
_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  0.44  1.0
  Ba  Ba1  1  0.42  0.42  0.0  1.0
  Sb  Sb3  1  0.42  0.42  0.44  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_Ba2SbP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.85
_cell_length_b   6.85
_cell_length_c   6.88
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ba2SbP
_chemical_formula_sum   'Ba4 Sb2 P2'
_cell_volume   322.64
_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
  Ba  Ba0  2  0.0  0.0  0.44  1.0
  Ba  Ba1  2  0.42  0.0  0.0  1.0
  Sb  Sb2  2  0.42  0.0  0.44  1.0
  P  P3  2  0.0  0.0  0.0  1.0

Ba Ba Sb P
Ba2SbP crystallizes in the monoclinic Cm space group. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent Sb(1) and two equivalent P(1) atoms to form a mixture of distorted edge and corner-sharing BaSb4P2 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. There are a spread of Ba(1)-Sb(1) bond distances ranging from 2.88-3.97 Å. There is one shorter (3.03 Å) and one longer (3.85 Å) Ba(1)-P(1) bond length. In the second Ba site, Ba(2) is bonded in a 5-coordinate geometry to two equivalent Sb(1) and four equivalent P(1) atoms. There is one shorter (3.03 Å) and one longer (3.85 Å) Ba(2)-Sb(1) bond length. There are a spread of Ba(2)-P(1) bond distances ranging from 2.88-3.97 Å. Sb(1) is bonded to two equivalent Ba(2) and four equivalent Ba(1) atoms to form a mixture of distorted edge and corner-sharing SbBa6 octahedra. The corner-sharing octahedral tilt angles range from 0-18°. P(1) is bonded in a 6-coordinate geometry to two equivalent Ba(1) and four equivalent Ba(2) atoms.