data_SrY2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.65
_cell_length_b   7.16
_cell_length_c   7.16
_cell_angle_alpha   44.82
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Br
_chemical_formula_sum   'Sr1 Y2 Br1'
_cell_volume   132.14
_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  Sr1  1  0.83  0.0  0.8  1.0
  Y  Y2  1  0.0  0.0  0.54  1.0
  Y  Y3  1  0.83  0.0  0.08  1.0
  Br  Br0  1  0.0  0.0  0.49  1.0

data_SrY2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   5.46
_cell_length_c   7.16
_cell_angle_alpha   112.41
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Br
_chemical_formula_sum   'Sr1 Y2 Br1'
_cell_volume   132.14
_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  0.17  0.8  0.8  1.0
  Y  Y1  1  0.0  0.54  0.54  1.0
  Y  Y2  1  0.17  0.08  0.08  1.0
  Br  Br3  1  0.0  0.49  0.49  1.0

Sr Y Y Br