data_LaPbBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaPbBr2
_chemical_formula_sum   'La1 Pb1 Br2'
_cell_volume   117.0
_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  La2  1  0.0  0.0  0.0  1.0
  Pb  Pb3  1  0.47  0.47  0.0  1.0
  Br  Br0  1  0.47  0.0  0.4  1.0
  Br  Br1  1  0.0  0.47  0.4  1.0

data_LaPbBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.98
_cell_length_b   6.98
_cell_length_c   4.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaPbBr2
_chemical_formula_sum   'La2 Pb2 Br4'
_cell_volume   234.01
_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
  La  La0  2  0.0  0.0  0.0  1.0
  Pb  Pb1  2  0.47  0.0  -0.0  1.0
  Br  Br2  4  0.23  0.23  0.4  1.0

La Pb Br Br
LaPbBr2 crystallizes in the monoclinic Cm space group. La(1) is bonded to four equivalent Pb(1) and eight equivalent Br(1) atoms to form a mixture of distorted corner and face-sharing LaPb4Br8 cuboctahedra. There are a spread of La(1)-Pb(1) bond distances ranging from 3.27-3.71 Å. There are a spread of La(1)-Br(1) bond distances ranging from 3.01-3.89 Å. Pb(1) is bonded in a 8-coordinate geometry to four equivalent La(1) and four equivalent Br(1) atoms. There are two shorter (3.01 Å) and two longer (3.26 Å) Pb(1)-Br(1) bond lengths. Br(1) is bonded in a 6-coordinate geometry to four equivalent La(1) and two equivalent Pb(1) atoms.