data_Sr2LaBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   6.64
_cell_angle_alpha   114.88
_cell_angle_beta   114.88
_cell_angle_gamma   30.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaBr
_chemical_formula_sum   'Sr2 La1 Br1'
_cell_volume   166.19
_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
  Sr  Sr2  1  0.05  0.0  0.12  1.0
  Sr  Sr3  1  0.89  0.0  0.2  1.0
  La  La1  1  0.6  0.0  0.72  1.0
  Br  Br0  1  0.7  0.0  0.91  1.0

data_Sr2LaBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.87
_cell_length_b   6.64
_cell_length_c   7.45
_cell_angle_alpha   114.88
_cell_angle_beta   105.05
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2LaBr
_chemical_formula_sum   'Sr2 La1 Br1'
_cell_volume   166.19
_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
  Sr  Sr0  1  0.0  0.12  0.05  1.0
  Sr  Sr1  1  0.0  0.2  0.89  1.0
  La  La2  1  0.0  0.72  0.6  1.0
  Br  Br3  1  0.0  0.91  0.7  1.0

Sr Sr La Br
Sr Sr La Br 0 1 - o o 2 3 o o o 
Sr2LaBr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sr2LaBr cluster. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 2-coordinate geometry to one Sr(2) and one Br(1) atom. The Sr(1)-Sr(2) bond length is 1.48 Å. The Sr(1)-Br(1) bond length is 2.36 Å. In the second Sr site, Sr(2) is bonded in a distorted L-shaped geometry to one Sr(1) and one Br(1) atom. The Sr(2)-Br(1) bond length is 1.85 Å. La(1) is bonded in a single-bond geometry to one Br(1) atom. The La(1)-Br(1) bond length is 1.15 Å. Br(1) is bonded in a 2-coordinate geometry to one Sr(1), one Sr(2), and one La(1) atom.