data_K2AlIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.44
_cell_length_b   6.44
_cell_length_c   6.25
_cell_angle_alpha   99.34
_cell_angle_beta   99.34
_cell_angle_gamma   33.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AlIn
_chemical_formula_sum   'K2 Al1 In1'
_cell_volume   139.34
_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  0.3  0.0  0.64  1.0
  K  K3  1  0.99  0.0  0.52  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.64  0.0  0.08  1.0

data_K2AlIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.66
_cell_length_b   6.25
_cell_length_c   6.44
_cell_angle_alpha   99.34
_cell_angle_beta   106.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AlIn
_chemical_formula_sum   'K2 Al1 In1'
_cell_volume   139.34
_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  0.52  0.99  1.0
  K  K1  1  0.0  0.64  0.3  1.0
  Al  Al2  1  0.0  0.0  0.0  1.0
  In  In3  1  0.0  0.08  0.64  1.0

K K Al In
K K Al In 0 1 - o o 1 2 + o + 2 3 - o o 