data_KAlBr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.6
_cell_length_b   7.6
_cell_length_c   7.6
_cell_angle_alpha   145.95
_cell_angle_beta   145.95
_cell_angle_gamma   48.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlBr2
_chemical_formula_sum   'K1 Al1 Br2'
_cell_volume   136.83
_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  K3  1  0.0  0.22  0.46  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  Br  Br1  1  0.22  0.0  0.46  1.0
  Br  Br2  1  0.0  0.0  0.92  1.0

data_KAlBr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.45
_cell_length_b   4.45
_cell_length_c   7.6
_cell_angle_alpha   107.02
_cell_angle_beta   107.02
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlBr2
_chemical_formula_sum   'K1 Al1 Br2'
_cell_volume   136.83
_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  0.23  0.46  0.23  1.0
  Al  Al1  1  0.0  0.0  0.0  1.0
  Br  Br2  1  0.46  0.23  0.23  1.0
  Br  Br3  1  0.92  0.92  0.92  1.0

K Al Br Br