data_DySBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.04
_cell_length_b   5.34
_cell_length_c   29.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DySBr
_chemical_formula_sum   'Dy2 S2 Br2'
_cell_volume   628.2
_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
  Dy  Dy0  1  0.62  0.35  0.2  1.0
  Dy  Dy1  1  0.12  0.85  0.12  1.0
  S  S2  1  0.62  0.85  0.18  1.0
  S  S3  1  0.12  0.35  0.13  1.0
  Br  Br4  1  0.12  0.35  0.26  1.0
  Br  Br5  1  0.62  0.85  0.05  1.0

Dy Dy S S Br Br 0 3 o o o 0 3 + o o 0 4 o o o 0 4 + o o 0 2 o - o 0 2 o o o 1 5 - o o 1 5 o o o 1 2 - o o 1 2 o o o 1 3 o o o 1 3 o + o 
data_DySBr
_symmetry_space_group_name_H-M   Pmmn
_cell_length_a   4.04
_cell_length_b   5.34
_cell_length_c   29.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   59
_chemical_formula_structural   DySBr
_chemical_formula_sum   'Dy2 S2 Br2'
_cell_volume   628.2
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, z'
  3  'x+1/2, -y+1/2, -z'
  4  '-x+1/2, y+1/2, -z'
  5  '-x+1/2, -y+1/2, -z'
  6  'x+1/2, y+1/2, -z'
  7  '-x, y, z'
  8  '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
  Dy  Dy0  2  0.0  0.5  0.96  1.0
  S  S1  2  0.0  0.0  0.98  1.0
  Br  Br2  2  0.0  0.0  0.11  1.0
