data_KTl2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.93
_cell_length_b   3.93
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2W
_chemical_formula_sum   'K1 Tl2 W1'
_cell_volume   132.77
_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  0.32  1.0
  Tl  Tl1  1  0.97  0.97  0.43  1.0
  Tl  Tl2  1  0.0  0.0  0.95  1.0
  W  W3  1  0.97  0.97  0.17  1.0

data_KTl2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   8.59
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTl2W
_chemical_formula_sum   'K2 Tl4 W2'
_cell_volume   265.54
_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  0.32  1.0
  Tl  Tl1  2  0.0  0.0  0.95  1.0
  Tl  Tl2  2  0.47  0.5  0.43  1.0
  W  W3  2  0.47  0.5  0.17  1.0

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