data_KAlIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.82
_cell_length_b   10.82
_cell_length_c   10.82
_cell_angle_alpha   18.8
_cell_angle_beta   18.8
_cell_angle_gamma   18.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KAlIn2
_chemical_formula_sum   'K1 Al1 In2'
_cell_volume   115.0
_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  0.0  0.03  1.0
  Al  Al0  1  0.0  0.0  0.29  1.0
  In  In1  1  0.0  0.0  0.76  1.0
  In  In2  1  0.0  0.0  0.63  1.0

data_KAlIn2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.12
_cell_length_b   3.53
_cell_length_c   10.82
_cell_angle_alpha   90.0
_cell_angle_beta   100.87
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KAlIn2
_chemical_formula_sum   'K2 Al2 In4'
_cell_volume   230.01
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  -0.0  0.0  0.97  1.0
  Al  Al1  2  -0.0  0.0  0.71  1.0
  In  In2  2  -0.0  0.0  0.37  1.0
  In  In3  2  -0.0  0.0  0.24  1.0

K Al In In