data_TlSiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59
_cell_length_b   6.59
_cell_length_c   6.59
_cell_angle_alpha   148.19
_cell_angle_beta   148.19
_cell_angle_gamma   45.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSiSb
_chemical_formula_sum   'Tl1 Si1 Sb1'
_cell_volume   79.34
_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
  Tl  Tl2  1  0.0  0.0  0.92  1.0
  Si  Si1  1  0.0  0.0  0.74  1.0
  Sb  Sb0  1  0.0  0.0  0.49  1.0

data_TlSiSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   6.59
_cell_angle_alpha   90.0
_cell_angle_beta   112.81
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TlSiSb
_chemical_formula_sum   'Tl2 Si2 Sb2'
_cell_volume   158.68
_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
  Tl  Tl0  2  0.0  0.0  0.08  1.0
  Si  Si1  2  0.0  0.0  0.26  1.0
  Sb  Sb2  2  0.0  0.0  0.51  1.0

Tl Si Sb
Tl Si Sb 0 1 o o o 1 2 o o o 