data_KZnBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.79
_cell_length_b   7.79
_cell_length_c   7.79
_cell_angle_alpha   150.53
_cell_angle_beta   148.44
_cell_angle_gamma   43.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnBr2
_chemical_formula_sum   'K1 Zn1 Br2'
_cell_volume   121.45
_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
  K  K2  1  0.0  0.0  0.87  1.0
  Zn  Zn3  1  0.0  0.12  0.04  1.0
  Br  Br0  1  0.0  0.0  0.66  1.0
  Br  Br1  1  0.98  0.0  0.34  1.0

data_KZnBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.96
_cell_length_b   4.24
_cell_length_c   7.79
_cell_angle_alpha   105.78
_cell_angle_beta   104.73
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZnBr2
_chemical_formula_sum   'K1 Zn1 Br2'
_cell_volume   121.45
_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
  K  K0  1  0.0  0.87  0.87  1.0
  Zn  Zn1  1  0.88  0.92  0.92  1.0
  Br  Br2  1  0.0  0.34  0.36  1.0
  Br  Br3  1  0.0  0.66  0.66  1.0

K Zn Br Br