data_Sr2CaBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35
_cell_length_b   7.35
_cell_length_c   7.25
_cell_angle_alpha   118.88
_cell_angle_beta   118.88
_cell_angle_gamma   32.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaBr
_chemical_formula_sum   'Sr2 Ca1 Br1'
_cell_volume   180.71
_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  0.28  0.0  0.41  1.0
  Sr  Sr3  1  0.2  0.0  0.86  1.0
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.24  0.0  0.13  1.0

data_Sr2CaBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.09
_cell_length_b   7.25
_cell_length_c   7.35
_cell_angle_alpha   118.88
_cell_angle_beta   106.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2CaBr
_chemical_formula_sum   'Sr2 Ca1 Br1'
_cell_volume   180.71
_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  0.41  0.28  1.0
  Sr  Sr1  1  0.0  0.86  0.2  1.0
  Ca  Ca2  1  0.0  0.0  0.0  1.0
  Br  Br3  1  0.0  0.13  0.24  1.0

Sr Sr Ca Br
Sr2CaBr crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one Sr2CaBr cluster. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a single-bond geometry to one Br(1) atom. The Sr(1)-Br(1) bond length is 1.87 Å. In the second Sr site, Sr(2) is bonded in a single-bond geometry to one Br(1) atom. The Sr(2)-Br(1) bond length is 1.87 Å. Ca(1) is bonded in a single-bond geometry to one Br(1) atom. The Ca(1)-Br(1) bond length is 1.53 Å. Br(1) is bonded in a distorted trigonal non-coplanar geometry to one Sr(1), one Sr(2), and one Ca(1) atom.