data_LiZn2Br
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.52
_cell_length_b   6.14
_cell_length_c   3.83
_cell_angle_alpha   90.0
_cell_angle_beta   91.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZn2Br
_chemical_formula_sum   'Li1 Zn2 Br1'
_cell_volume   82.85
_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
  Li  Li1  1  0.0  0.0  0.0  1.0
  Zn  Zn2  1  0.83  0.07  0.86  1.0
  Zn  Zn3  1  0.61  0.07  0.97  1.0
  Br  Br0  1  0.72  0.0  0.91  1.0

data_LiZn2Br
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   3.83
_cell_length_c   6.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZn2Br
_chemical_formula_sum   'Li1 Zn2 Br1'
_cell_volume   82.85
_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
  Li  Li0  1  0.0  0.0  0.0  1.0
  Zn  Zn1  1  0.17  0.14  0.93  1.0
  Zn  Zn2  1  0.39  0.03  0.93  1.0
  Br  Br3  1  0.28  0.09  0.0  1.0

Li Zn Zn Br