data_KTlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.45
_cell_length_b   7.45
_cell_length_c   7.45
_cell_angle_alpha   149.96
_cell_angle_beta   149.96
_cell_angle_gamma   43.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlSb
_chemical_formula_sum   'K1 Tl1 Sb1'
_cell_volume   103.31
_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  0.08  1.0
  Tl  Tl2  1  0.0  0.0  0.33  1.0
  Sb  Sb1  1  0.0  0.0  0.46  1.0

data_KTlSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.46
_cell_length_b   5.46
_cell_length_c   7.45
_cell_angle_alpha   90.0
_cell_angle_beta   111.5
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTlSb
_chemical_formula_sum   'K2 Tl2 Sb2'
_cell_volume   206.62
_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  0.92  1.0
  Tl  Tl1  2  0.0  0.0  0.67  1.0
  Sb  Sb2  2  0.0  0.0  0.54  1.0

K Tl Sb
K Tl Sb 0 1 o o o 1 2 o o o 