data_LaTlSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.56
_cell_length_b   11.56
_cell_length_c   11.56
_cell_angle_alpha   17.61
_cell_angle_beta   17.61
_cell_angle_gamma   17.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlSb2
_chemical_formula_sum   'La1 Tl1 Sb2'
_cell_volume   123.42
_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  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.06  1.0
  Sb  Sb1  1  0.0  0.0  0.65  1.0
  Sb  Sb2  1  0.0  0.0  0.48  1.0

data_LaTlSb2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.13
_cell_length_b   3.54
_cell_length_c   11.56
_cell_angle_alpha   90.0
_cell_angle_beta   100.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTlSb2
_chemical_formula_sum   'La2 Tl2 Sb4'
_cell_volume   246.83
_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
  La  La0  2  0.0  0.0  0.0  1.0
  Tl  Tl1  2  0.0  0.0  0.94  1.0
  Sb  Sb2  2  0.0  0.0  0.35  1.0
  Sb  Sb3  2  0.0  0.0  0.52  1.0

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