data_K2AlIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.67
_cell_length_b   6.67
_cell_length_c   6.67
_cell_angle_alpha   136.97
_cell_angle_beta   136.97
_cell_angle_gamma   62.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2AlIn
_chemical_formula_sum   'K2 Al1 In1'
_cell_volume   136.66
_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  0.45  0.85  1.0
  K  K3  1  0.45  0.0  0.85  1.0
  Al  Al0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.7  1.0

data_K2AlIn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.92
_cell_length_b   6.92
_cell_length_c   6.67
_cell_angle_alpha   90.0
_cell_angle_beta   121.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2AlIn
_chemical_formula_sum   'K4 Al2 In2'
_cell_volume   273.31
_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  4  0.37  0.22  0.59  1.0
  Al  Al1  2  0.0  0.0  0.0  1.0
  In  In2  2  0.3  0.0  0.3  1.0

K K Al In