data_KIn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.12
_cell_length_b   4.45
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIn2Cl
_chemical_formula_sum   'K1 In2 Cl1'
_cell_volume   141.8
_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  0.06  0.23  0.0  1.0
  In  In1  1  0.0  0.23  0.87  1.0
  In  In2  1  0.06  0.0  0.87  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_KIn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.12
_cell_length_b   4.45
_cell_length_c   7.73
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KIn2Cl
_chemical_formula_sum   'K1 In2 Cl1'
_cell_volume   141.8
_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  0.06  0.23  0.0  1.0
  In  In1  1  0.0  0.23  0.87  1.0
  In  In2  1  0.06  0.0  0.87  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

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