data_TlInSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.19
_cell_length_b   5.44
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   91.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInSb2
_chemical_formula_sum   'Tl1 In1 Sb2'
_cell_volume   117.39
_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  0.58  0.72  0.4  1.0
  In  In0  1  0.42  0.0  0.11  1.0
  Sb  Sb1  1  0.86  0.72  0.03  1.0
  Sb  Sb2  1  0.94  0.0  0.59  1.0

data_TlInSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.19
_cell_length_b   5.44
_cell_length_c   6.75
_cell_angle_alpha   90.0
_cell_angle_beta   91.09
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TlInSb2
_chemical_formula_sum   'Tl1 In1 Sb2'
_cell_volume   117.39
_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  0.58  0.72  0.4  1.0
  In  In1  1  0.42  0.0  0.11  1.0
  Sb  Sb2  1  0.86  0.72  0.03  1.0
  Sb  Sb3  1  0.94  0.0  0.59  1.0

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