data_YBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.56
_cell_length_b   6.05
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBr
_chemical_formula_sum   'Y2 Br2'
_cell_volume   107.79
_cell_formula_units_Z   2
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
  Y  Y2  1  0.78  0.0  0.47  1.0
  Y  Y3  1  0.0  0.03  0.54  1.0
  Br  Br0  1  0.0  0.0  0.98  1.0
  Br  Br1  1  0.78  0.03  0.03  1.0

data_YBr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.56
_cell_length_b   5.01
_cell_length_c   6.05
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YBr
_chemical_formula_sum   'Y2 Br2'
_cell_volume   107.79
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  Y  Y0  2  0.11  0.03  0.51  1.0
  Br  Br1  2  0.11  0.48  0.49  1.0

Y Y Br Br