data_La2TlBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlBi
_chemical_formula_sum   'La2 Tl1 Bi1'
_cell_volume   126.43
_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  La1  1  0.63  0.0  0.28  1.0
  La  La2  1  0.0  0.63  0.28  1.0
  Tl  Tl3  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.63  0.63  0.0  1.0

data_La2TlBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   4.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2TlBi
_chemical_formula_sum   'La4 Tl2 Bi2'
_cell_volume   252.86
_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  4  0.32  0.32  0.28  1.0
  Tl  Tl1  2  0.0  0.0  0.0  1.0
  Bi  Bi2  2  0.13  0.5  -0.0  1.0

La La Tl Bi
La La Tl Bi 0 3 o - o 0 1 + - o 0 2 + o o 1 3 - o o 1 2 o + o 2 3 - - o 