data_K2TlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K2TlSb
_chemical_formula_sum   'K2 Tl1 Sb1'
_cell_volume   177.69
_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  0.11  1.0
  K  K1  1  0.11  0.11  0.38  1.0
  Tl  Tl3  1  0.11  0.11  0.92  1.0
  Sb  Sb2  1  0.0  0.0  0.55  1.0

data_K2TlSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.97
_cell_length_b   5.97
_cell_length_c   9.98
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   K2TlSb
_chemical_formula_sum   'K4 Tl2 Sb2'
_cell_volume   355.38
_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  0.11  1.0
  K  K1  2  0.11  0.0  0.38  1.0
  Tl  Tl2  2  0.11  0.0  0.92  1.0
  Sb  Sb3  2  0.0  0.0  0.55  1.0

K K Tl Sb
K K Tl Sb 0 2 o o - 1 3 o o o 