data_Tl2AgSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.82
_cell_length_b   3.82
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl2AgSb
_chemical_formula_sum   'Tl2 Ag1 Sb1'
_cell_volume   107.41
_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  0.91  0.91  0.64  1.0
  Tl  Tl3  1  0.91  0.91  0.72  1.0
  Ag  Ag0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.68  1.0

data_Tl2AgSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   7.36
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tl2AgSb
_chemical_formula_sum   'Tl4 Ag2 Sb2'
_cell_volume   214.81
_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  0.41  0.5  0.64  1.0
  Tl  Tl1  2  0.41  0.5  0.72  1.0
  Ag  Ag2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.0  0.0  0.68  1.0

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