data_ZnSn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.01
_cell_length_b   6.01
_cell_length_c   3.44
_cell_angle_alpha   103.56
_cell_angle_beta   103.56
_cell_angle_gamma   111.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Br
_chemical_formula_sum   'Zn1 Sn2 Br1'
_cell_volume   104.97
_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  0.0  0.0  0.0  1.0
  Sn  Sn1  1  0.98  0.52  0.56  1.0
  Sn  Sn2  1  0.98  0.48  0.56  1.0
  Br  Br0  1  0.38  0.0  0.0  1.0

data_ZnSn2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   6.01
_cell_length_c   6.01
_cell_angle_alpha   111.47
_cell_angle_beta   103.56
_cell_angle_gamma   103.56
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSn2Br
_chemical_formula_sum   'Zn1 Sn2 Br1'
_cell_volume   104.97
_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  0.0  0.0  1.0
  Sn  Sn1  1  0.56  0.98  0.48  1.0
  Sn  Sn2  1  0.56  0.98  0.52  1.0
  Br  Br3  1  0.0  0.38  0.0  1.0

Zn Sn Sn Br