data_ZnSnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.9
_cell_length_b   4.56
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnBr2
_chemical_formula_sum   'Zn1 Sn1 Br2'
_cell_volume   109.1
_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  Sn2  1  0.95  0.0  0.06  1.0
  Br  Br0  1  0.0  0.28  0.06  1.0
  Br  Br1  1  0.95  0.28  0.0  1.0

data_ZnSnBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.9
_cell_length_b   4.56
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSnBr2
_chemical_formula_sum   'Zn1 Sn1 Br2'
_cell_volume   109.1
_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  0.95  0.0  0.06  1.0
  Br  Br2  1  -0.0  0.28  0.06  1.0
  Br  Br3  1  0.95  0.28  0.0  1.0

Zn Sn Br Br
Zn Sn Br Br 0 1 - o o 2 3 - o o 