data_YBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67
_cell_length_b   5.63
_cell_length_c   5.44
_cell_angle_alpha   90.0
_cell_angle_beta   102.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YBr
_chemical_formula_sum   'Y2 Br2'
_cell_volume   109.5
_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  0.59  0.22  0.68  1.0
  Y  Y3  1  0.87  0.41  0.62  1.0
  Br  Br0  1  0.27  0.22  0.62  1.0
  Br  Br1  1  0.18  0.41  0.68  1.0

data_YBr
_symmetry_space_group_name_H-M   P-1
_cell_length_a   3.67
_cell_length_b   5.44
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   102.92
_symmetry_Int_Tables_number   2
_chemical_formula_structural   YBr
_chemical_formula_sum   'Y2 Br2'
_cell_volume   109.5
_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  0.14  0.97  0.59  1.0
  Br  Br1  2  0.45  0.03  0.59  1.0

Y Y Br Br