data_ZnSiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.58
_cell_length_b   6.23
_cell_length_c   3.44
_cell_angle_alpha   80.16
_cell_angle_beta   68.85
_cell_angle_gamma   30.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZnSiBr
_chemical_formula_sum   'Zn1 Si1 Br1'
_cell_volume   64.74
_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  Zn2  1  0.91  0.86  0.89  1.0
  Si  Si1  1  0.91  0.86  0.17  1.0
  Br  Br0  1  0.91  0.86  0.65  1.0

data_ZnSiBr
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.83
_cell_length_b   11.85
_cell_length_c   3.44
_cell_angle_alpha   90.0
_cell_angle_beta   123.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZnSiBr
_chemical_formula_sum   'Zn2 Si2 Br2'
_cell_volume   129.48
_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'
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  2  0.36  0.5  0.2  1.0
  Si  Si1  2  0.36  0.5  0.92  1.0
  Br  Br2  2  0.36  0.5  0.44  1.0

Zn Si Br
Zn Si Br 0 2 o o o 0 1 o o + 