data_KIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.33
_cell_length_b   12.14
_cell_length_c   4.48
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIn2
_chemical_formula_sum   'K2 In4'
_cell_volume   181.19
_cell_formula_units_Z   2
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  K4  1  0.0  0.0  0.0  1.0
  K  K5  1  0.67  0.07  0.24  1.0
  In  In0  1  0.13  0.75  0.0  1.0
  In  In1  1  0.2  0.39  0.0  1.0
  In  In2  1  0.8  0.32  0.24  1.0
  In  In3  1  0.54  0.82  0.24  1.0

data_KIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.33
_cell_length_b   4.48
_cell_length_c   12.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIn2
_chemical_formula_sum   'K2 In4'
_cell_volume   181.19
_cell_formula_units_Z   2
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  0.0  0.0  1.0
  K  K1  1  0.33  0.76  0.93  1.0
  In  In2  1  0.2  0.76  0.68  1.0
  In  In3  1  0.46  0.76  0.18  1.0
  In  In4  1  0.8  0.0  0.61  1.0
  In  In5  1  0.87  0.0  0.25  1.0

K K In In In In