data_LaP2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaP2Br
_chemical_formula_sum   'La1 P2 Br1'
_cell_volume   98.39
_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
  La  La1  1  0.0  0.0  0.79  1.0
  P  P2  1  0.7  0.0  0.44  1.0
  P  P3  1  0.7  0.0  0.13  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_LaP2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.24
_cell_length_b   4.24
_cell_length_c   5.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   100.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaP2Br
_chemical_formula_sum   'La1 P2 Br1'
_cell_volume   98.39
_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
  La  La0  1  0.0  0.0  0.79  1.0
  P  P1  1  0.7  0.0  0.13  1.0
  P  P2  1  0.7  0.0  0.44  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

La P P Br
LaP2Br crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one LaP2Br cluster. La(1) is bonded in a distorted single-bond geometry to one P(1) and one Br(1) atom. The La(1)-P(1) bond length is 2.29 Å. The La(1)-Br(1) bond length is 1.19 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded in a 1-coordinate geometry to one La(1) atom. In the second P site, P(2) is bonded in a single-bond geometry to one Br(1) atom. The P(2)-Br(1) bond length is 1.45 Å. Br(1) is bonded in a bent 120 degrees geometry to one La(1) and one P(2) atom.