data_LaTlSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.6
_cell_length_b   6.37
_cell_length_c   4.01
_cell_angle_alpha   75.2
_cell_angle_beta   68.85
_cell_angle_gamma   35.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTlSb
_chemical_formula_sum   'La1 Tl1 Sb1'
_cell_volume   91.99
_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  0.55  0.09  0.09  1.0
  Tl  Tl2  1  0.55  0.09  0.77  1.0
  Sb  Sb1  1  0.55  0.09  0.81  1.0

data_LaTlSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.11
_cell_length_b   11.67
_cell_length_c   4.01
_cell_angle_alpha   90.0
_cell_angle_beta   129.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTlSb
_chemical_formula_sum   'La2 Tl2 Sb2'
_cell_volume   183.97
_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  0.09  0.0  0.64  1.0
  Tl  Tl1  2  0.27  0.5  0.32  1.0
  Sb  Sb2  2  0.31  0.5  0.36  1.0

La Tl Sb
La Tl Sb 0 2 o o - 0 1 o o - 1 2 o o o 