data_KTl2Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.01
_cell_length_b   11.01
_cell_length_c   11.01
_cell_angle_alpha   19.72
_cell_angle_beta   19.72
_cell_angle_gamma   19.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2Sn
_chemical_formula_sum   'K1 Tl2 Sn1'
_cell_volume   133.07
_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  Tl2  1  0.0  0.0  0.84  1.0
  Tl  Tl3  1  0.0  0.0  0.54  1.0
  Sn  Sn1  1  0.0  0.0  0.19  1.0

data_KTl2Sn
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.53
_cell_length_b   3.77
_cell_length_c   11.01
_cell_angle_alpha   90.0
_cell_angle_beta   101.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTl2Sn
_chemical_formula_sum   'K2 Tl4 Sn2'
_cell_volume   266.14
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.16  1.0
  Tl  Tl2  2  0.0  0.0  0.46  1.0
  Sn  Sn3  2  0.0  0.0  0.81  1.0

K Tl Tl Sn
K Tl Tl Sn 0 1 o o - 0 3 o o o 1 2 o o o 2 2 o + - 2 2 + - o 2 2 + o - 2 3 o o o 