data_TlSb3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.32
_cell_length_b   6.32
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   93.53
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlSb3
_chemical_formula_sum   'Tl2 Sb6'
_cell_volume   245.77
_cell_formula_units_Z   2
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  Tl6  1  0.33  0.43  0.54  1.0
  Tl  Tl7  1  0.33  0.57  0.62  1.0
  Sb  Sb0  1  0.33  0.54  0.62  1.0
  Sb  Sb1  1  0.33  0.46  0.54  1.0
  Sb  Sb2  1  0.41  0.21  0.62  1.0
  Sb  Sb3  1  0.25  0.79  0.54  1.0
  Sb  Sb4  1  0.25  0.21  0.62  1.0
  Sb  Sb5  1  0.41  0.79  0.54  1.0

data_TlSb3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   6.16
_cell_length_b   6.32
_cell_length_c   6.32
_cell_angle_alpha   93.53
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   TlSb3
_chemical_formula_sum   'Tl2 Sb6'
_cell_volume   245.77
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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  Tl0  2  0.46  0.0  0.43  1.0
  Sb  Sb1  2  0.46  0.0  0.46  1.0
  Sb  Sb2  2  0.46  0.08  0.79  1.0
  Sb  Sb3  2  0.46  0.92  0.79  1.0

Tl Tl Sb Sb Sb Sb Sb Sb
Tl Tl Sb Sb Sb Sb Sb Sb 0 3 o o o 1 2 o o o 4 6 o o o 5 7 o o o 