data_SrY2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   3.75
_cell_angle_alpha   104.04
_cell_angle_beta   104.04
_cell_angle_gamma   128.09
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Br
_chemical_formula_sum   'Sr1 Y2 Br1'
_cell_volume   141.86
_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  0.33  0.0  0.0  1.0
  Y  Y2  1  0.62  0.58  0.56  1.0
  Y  Y3  1  0.62  0.42  0.56  1.0
  Br  Br0  1  0.0  0.0  0.0  1.0

data_SrY2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.54
_cell_length_c   7.6
_cell_angle_alpha   111.18
_cell_angle_beta   104.04
_cell_angle_gamma   90.68
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrY2Br
_chemical_formula_sum   'Sr1 Y2 Br1'
_cell_volume   141.86
_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  0.33  1.0
  Y  Y1  1  0.15  0.58  0.21  1.0
  Y  Y2  1  0.98  0.42  0.04  1.0
  Br  Br3  1  0.0  0.0  0.0  1.0

Sr Y Y Br