data_La2TlTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.57
_cell_length_b   8.57
_cell_length_c   8.57
_cell_angle_alpha   30.01
_cell_angle_beta   30.01
_cell_angle_gamma   30.01
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlTe
_chemical_formula_sum   'La2 Tl1 Te1'
_cell_volume   139.38
_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  0.19  1.0
  La  La1  1  0.0  0.0  0.34  1.0
  Tl  Tl3  1  0.0  0.0  0.26  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0

data_La2TlTe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.68
_cell_length_b   4.44
_cell_length_c   8.57
_cell_angle_alpha   90.0
_cell_angle_beta   107.39
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   La2TlTe
_chemical_formula_sum   'La4 Tl2 Te2'
_cell_volume   278.76
_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  0.66  1.0
  La  La1  2  0.0  0.0  0.81  1.0
  Tl  Tl2  2  0.0  0.0  0.74  1.0
  Te  Te3  2  0.0  0.0  0.0  1.0

La La Tl Te
La La Tl Te 0 2 o o o 0 3 o o o 1 2 o o o 