data_Zn2BrCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2BrCl
_chemical_formula_sum   'Zn2 Br1 Cl1'
_cell_volume   94.08
_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  0.95  0.0  0.87  1.0
  Zn  Zn3  1  0.95  0.0  0.78  1.0
  Br  Br0  1  0.0  0.0  0.82  1.0
  Cl  Cl1  1  0.0  0.0  0.0  1.0

data_Zn2BrCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   7.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   116.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zn2BrCl
_chemical_formula_sum   'Zn2 Br1 Cl1'
_cell_volume   94.08
_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  0.95  0.0  0.78  1.0
  Zn  Zn1  1  0.95  0.0  0.87  1.0
  Br  Br2  1  0.0  0.0  0.82  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Zn Zn Br Cl