data_Tl3Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.81
_cell_length_b   6.81
_cell_length_c   6.81
_cell_angle_alpha   149.4
_cell_angle_beta   129.18
_cell_angle_gamma   60.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Sb
_chemical_formula_sum   'Tl3 Sb1'
_cell_volume   123.65
_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  Tl1  1  0.0  0.92  0.11  1.0
  Tl  Tl2  1  0.8  0.0  0.77  1.0
  Tl  Tl3  1  0.0  0.0  0.88  1.0
  Sb  Sb0  1  0.0  0.0  0.0  1.0

data_Tl3Sb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.59
_cell_length_b   5.85
_cell_length_c   6.81
_cell_angle_alpha   115.41
_cell_angle_beta   105.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tl3Sb
_chemical_formula_sum   'Tl3 Sb1'
_cell_volume   123.65
_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  Tl0  1  0.03  0.23  0.03  1.0
  Tl  Tl1  1  0.12  0.12  0.12  1.0
  Tl  Tl2  1  0.89  0.81  0.81  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0

Tl Tl Tl Sb