data_ZnSb2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.53
_cell_length_c   5.52
_cell_angle_alpha   90.0
_cell_angle_beta   109.92
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSb2Br
_chemical_formula_sum   'Zn1 Sb2 Br1'
_cell_volume   106.9
_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
  Zn  Zn3  1  0.18  0.0  0.54  1.0
  Sb  Sb1  1  0.26  0.0  1.0  1.0
  Sb  Sb2  1  0.82  0.27  0.96  1.0
  Br  Br0  1  0.87  0.27  0.47  1.0

data_ZnSb2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.53
_cell_length_b   4.55
_cell_length_c   5.52
_cell_angle_alpha   109.92
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSb2Br
_chemical_formula_sum   'Zn1 Sb2 Br1'
_cell_volume   106.9
_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
  Zn  Zn0  1  0.0  0.82  0.46  1.0
  Sb  Sb1  1  0.0  0.74  0.0  1.0
  Sb  Sb2  1  0.73  0.18  0.04  1.0
  Br  Br3  1  0.73  0.13  0.53  1.0

Zn Sb Sb Br
Zn Sb Sb Br 0 3 - o o 0 1 o o o 1 2 - o o 2 3 o o o 2 3 o o + 