data_LaTlSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.36
_cell_length_b   6.36
_cell_length_c   6.36
_cell_angle_alpha   137.21
_cell_angle_beta   137.21
_cell_angle_gamma   62.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlSb2
_chemical_formula_sum   'La1 Tl1 Sb2'
_cell_volume   117.49
_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
  La  La0  1  0.0  0.0  0.45  1.0
  Tl  Tl3  1  0.32  0.0  0.73  1.0
  Sb  Sb1  1  0.0  0.32  0.73  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0

data_LaTlSb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   6.36
_cell_angle_alpha   111.4
_cell_angle_beta   111.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlSb2
_chemical_formula_sum   'La1 Tl1 Sb2'
_cell_volume   117.49
_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
  La  La0  1  0.45  0.45  0.45  1.0
  Tl  Tl1  1  0.73  0.4  0.4  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Sb  Sb3  1  0.4  0.73  0.4  1.0

La Tl Sb Sb
La Tl Sb Sb 0 2 o o o 0 1 o o o 0 3 o o + 0 3 o o o 1 3 + o + 1 3 o o + 1 3 o o o 2 3 o o + 2 3 o o o 2 3 o + + 