data_KTl2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.41
_cell_length_b   10.41
_cell_length_c   10.41
_cell_angle_alpha   18.44
_cell_angle_beta   18.44
_cell_angle_gamma   18.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTl2Os
_chemical_formula_sum   'K1 Tl2 Os1'
_cell_volume   98.56
_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  0.43  1.0
  Tl  Tl3  1  0.0  0.0  0.26  1.0
  Os  Os1  1  0.0  0.0  0.34  1.0

data_KTl2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   3.34
_cell_length_c   10.41
_cell_angle_alpha   90.0
_cell_angle_beta   100.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   KTl2Os
_chemical_formula_sum   'K2 Tl4 Os2'
_cell_volume   197.11
_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  0.57  1.0
  Tl  Tl2  2  -0.0  0.0  0.74  1.0
  Os  Os3  2  -0.0  0.0  0.66  1.0

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