data_KTiIn2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.0
_cell_length_b   5.0
_cell_length_c   7.83
_cell_angle_alpha   95.33
_cell_angle_beta   95.33
_cell_angle_gamma   36.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiIn2
_chemical_formula_sum   'K1 Ti1 In2'
_cell_volume   116.63
_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  0.0  0.0  1.0
  Ti  Ti3  1  0.36  0.0  0.9  1.0
  In  In0  1  0.94  0.0  0.51  1.0
  In  In1  1  0.78  0.0  0.28  1.0

data_KTiIn2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.16
_cell_length_b   5.0
_cell_length_c   7.83
_cell_angle_alpha   95.33
_cell_angle_beta   90.0
_cell_angle_gamma   108.41
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTiIn2
_chemical_formula_sum   'K1 Ti1 In2'
_cell_volume   116.63
_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
  Ti  Ti1  1  0.0  0.64  0.1  1.0
  In  In2  1  0.0  0.06  0.49  1.0
  In  In3  1  0.0  0.22  0.72  1.0

K Ti In In