data_SrTeBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTeBr2
_chemical_formula_sum   'Sr1 Te1 Br2'
_cell_volume   121.21
_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  0.0  0.0  0.0  1.0
  Te  Te3  1  0.54  0.54  0.0  1.0
  Br  Br0  1  0.54  0.0  0.35  1.0
  Br  Br1  1  0.0  0.54  0.35  1.0

data_SrTeBr2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.19
_cell_length_b   7.19
_cell_length_c   4.69
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTeBr2
_chemical_formula_sum   'Sr2 Te2 Br4'
_cell_volume   242.42
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Te  Te1  2  0.04  0.5  0.0  1.0
  Br  Br2  4  0.27  0.27  0.35  1.0

Sr Te Br Br
Sr Te Br Br 0 1 - - o 0 1 - o o 0 1 o - o 0 2 - o o 0 2 o o o 0 3 o - o 0 3 o o o 1 3 o o o 1 3 + o o 1 2 o o o 1 2 o + o 2 3 o - o 2 3 + - o 2 3 + o o 
SrTeBr2 crystallizes in the monoclinic Cm space group. Sr(1) is bonded in a 4-coordinate geometry to four equivalent Te(1) and six equivalent Br(1) atoms. There are a spread of Sr(1)-Te(1) bond distances ranging from 3.30-3.89 Å. There are a spread of Sr(1)-Br(1) bond distances ranging from 2.85-3.85 Å. Te(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Br(1) atoms. There are two shorter (2.85 Å) and two longer (3.19 Å) Te(1)-Br(1) bond lengths. Br(1) is bonded in a 5-coordinate geometry to three equivalent Sr(1) and two equivalent Te(1) atoms.