data_K2AlBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.88
_cell_length_b   9.88
_cell_length_c   9.88
_cell_angle_alpha   157.66
_cell_angle_beta   154.94
_cell_angle_gamma   33.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AlBr
_chemical_formula_sum   'K2 Al1 Br1'
_cell_volume   154.95
_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  0.25  1.0
  K  K3  1  0.0  0.14  0.4  1.0
  Al  Al0  1  0.0  0.0  0.39  1.0
  Br  Br1  1  0.91  0.0  0.86  1.0

data_K2AlBr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.83
_cell_length_b   4.29
_cell_length_c   9.88
_cell_angle_alpha   102.53
_cell_angle_beta   101.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AlBr
_chemical_formula_sum   'K2 Al1 Br1'
_cell_volume   154.95
_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  0.6  0.74  0.74  1.0
  K  K1  1  0.75  0.75  0.75  1.0
  Al  Al2  1  0.61  0.61  0.61  1.0
  Br  Br3  1  0.05  0.14  0.05  1.0

K K Al Br