data_SrZnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   8.13
_cell_angle_alpha   103.36
_cell_angle_beta   103.36
_cell_angle_gamma   56.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZnBr2
_chemical_formula_sum   'Sr1 Zn1 Br2'
_cell_volume   151.06
_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
  Sr  Sr2  1  0.18  0.0  0.92  1.0
  Zn  Zn3  1  0.0  0.0  0.0  1.0
  Br  Br0  1  0.41  0.0  0.38  1.0
  Br  Br1  1  0.94  0.0  0.47  1.0

data_SrZnBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.54
_cell_length_b   4.81
_cell_length_c   8.13
_cell_angle_alpha   103.36
_cell_angle_beta   90.0
_cell_angle_gamma   118.15
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrZnBr2
_chemical_formula_sum   'Sr1 Zn1 Br2'
_cell_volume   151.06
_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
  Sr  Sr0  1  0.0  0.82  0.08  1.0
  Zn  Zn1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.0  0.06  0.53  1.0
  Br  Br3  1  0.0  0.59  0.62  1.0

Sr Zn Br Br