data_KInCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   7.8
_cell_angle_alpha   106.32
_cell_angle_beta   106.32
_cell_angle_gamma   58.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KInCl2
_chemical_formula_sum   'K1 In1 Cl2'
_cell_volume   132.71
_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  0.0  1.0
  In  In2  1  0.75  0.0  0.69  1.0
  Cl  Cl0  1  0.12  0.0  0.59  1.0
  Cl  Cl1  1  0.37  0.0  0.8  1.0

data_KInCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.49
_cell_length_b   4.59
_cell_length_c   7.8
_cell_angle_alpha   106.32
_cell_angle_beta   90.0
_cell_angle_gamma   119.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KInCl2
_chemical_formula_sum   'K1 In1 Cl2'
_cell_volume   132.71
_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  0.0  0.0  1.0
  In  In1  1  0.0  0.25  0.31  1.0
  Cl  Cl2  1  0.0  0.63  0.2  1.0
  Cl  Cl3  1  0.0  0.88  0.41  1.0

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