data_KTl2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.38
_cell_length_b   6.38
_cell_length_c   6.38
_cell_angle_alpha   139.87
_cell_angle_beta   125.47
_cell_angle_gamma   69.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2In
_chemical_formula_sum   'K1 Tl2 In1'
_cell_volume   133.67
_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  K1  1  0.0  0.0  0.0  1.0
  Tl  Tl2  1  0.0  0.92  0.36  1.0
  Tl  Tl3  1  0.19  0.0  0.87  1.0
  In  In0  1  0.0  0.0  0.23  1.0

data_KTl2In
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   5.84
_cell_length_c   6.38
_cell_angle_alpha   117.26
_cell_angle_beta   110.06
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2In
_chemical_formula_sum   'K1 Tl2 In1'
_cell_volume   133.67
_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
  Tl  Tl1  1  0.32  0.13  0.32  1.0
  Tl  Tl2  1  0.64  0.56  0.56  1.0
  In  In3  1  0.77  0.77  0.77  1.0

K Tl Tl In