data_KTlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.89
_cell_length_b   6.89
_cell_length_c   6.89
_cell_angle_alpha   149.78
_cell_angle_beta   141.57
_cell_angle_gamma   49.65
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlSb
_chemical_formula_sum   'K1 Tl1 Sb1'
_cell_volume   102.05
_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  0.03  1.0
  Tl  Tl2  1  0.0  0.0  0.9  1.0
  Sb  Sb1  1  0.0  0.0  0.58  1.0

data_KTlSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   4.54
_cell_length_c   6.89
_cell_angle_alpha   109.22
_cell_angle_beta   105.11
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlSb
_chemical_formula_sum   'K1 Tl1 Sb1'
_cell_volume   102.05
_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  0.97  0.97  0.97  1.0
  Tl  Tl1  1  0.1  0.1  0.1  1.0
  Sb  Sb2  1  0.42  0.42  0.42  1.0

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