data_TlSi2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.77
_cell_length_b   3.77
_cell_length_c   7.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSi2Sb
_chemical_formula_sum   'Tl1 Si2 Sb1'
_cell_volume   99.61
_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  Tl3  1  0.0  0.0  0.51  1.0
  Si  Si1  1  0.88  0.88  0.22  1.0
  Si  Si2  1  0.88  0.88  0.79  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0

data_TlSi2Sb
_symmetry_space_group_name_H-M   Amm2
_cell_length_a   7.01
_cell_length_b   5.33
_cell_length_c   5.33
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   38
_chemical_formula_structural   TlSi2Sb
_chemical_formula_sum   'Tl2 Si4 Sb2'
_cell_volume   199.22
_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, y, z'
  4  'x, -y, z'
  5  'x, y+1/2, z+1/2'
  6  '-x, -y+1/2, z+1/2'
  7  '-x, y+1/2, z+1/2'
  8  'x, -y+1/2, z+1/2'
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  0.5  0.0  0.0  1.0
  Si  Si1  4  0.22  0.0  0.88  1.0
  Sb  Sb2  2  0.0  0.0  0.0  1.0

Tl Si Si Sb
Tl Si Si Sb 0 1 - - o 0 2 - - o 1 3 + + o 2 3 + + + 