data_SrYBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.95
_cell_length_b   4.87
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   92.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrYBr2
_chemical_formula_sum   'Sr1 Y1 Br2'
_cell_volume   130.22
_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
  Y  Y3  1  0.83  0.0  0.39  1.0
  Br  Br0  1  0.36  0.44  0.06  1.0
  Br  Br1  1  0.31  0.44  0.71  1.0

data_SrYBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   4.87
_cell_length_c   6.78
_cell_angle_alpha   90.0
_cell_angle_beta   92.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrYBr2
_chemical_formula_sum   'Sr1 Y1 Br2'
_cell_volume   130.22
_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  0.0  0.0  1.0
  Y  Y1  1  0.83  0.0  0.39  1.0
  Br  Br2  1  0.31  0.44  0.71  1.0
  Br  Br3  1  0.36  0.44  0.06  1.0

Sr Y Br Br
SrYBr2 crystallizes in the triclinic P1 space group. Sr(1) is bonded in a 1-coordinate geometry to one Y(1), one Br(1), and two equivalent Br(2) atoms. The Sr(1)-Y(1) bond length is 2.72 Å. The Sr(1)-Br(1) bond length is 2.58 Å. There is one shorter (3.15 Å) and one longer (3.61 Å) Sr(1)-Br(2) bond length. Y(1) is bonded in a 4-coordinate geometry to one Sr(1), one Br(1), and two equivalent Br(2) atoms. The Y(1)-Br(1) bond length is 3.54 Å. There is one shorter (3.54 Å) and one longer (3.76 Å) Y(1)-Br(2) bond length. There are two inequivalent Br sites. In the first Br site, Br(1) is bonded in a 1-coordinate geometry to one Sr(1), one Y(1), and one Br(2) atom. The Br(1)-Br(2) bond length is 2.34 Å. In the second Br site, Br(2) is bonded in a 5-coordinate geometry to two equivalent Sr(1), two equivalent Y(1), and one Br(1) atom.