data_La2TlTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.79
_cell_length_b   5.79
_cell_length_c   5.79
_cell_angle_alpha   128.55
_cell_angle_beta   121.45
_cell_angle_gamma   81.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlTe
_chemical_formula_sum   'La2 Tl1 Te1'
_cell_volume   124.87
_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  0.83  0.23  1.0
  La  La1  1  0.51  0.0  0.15  1.0
  Tl  Tl3  1  0.0  0.0  0.38  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0

data_La2TlTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.03
_cell_length_b   5.67
_cell_length_c   5.79
_cell_angle_alpha   119.28
_cell_angle_beta   115.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TlTe
_chemical_formula_sum   'La2 Tl1 Te1'
_cell_volume   124.87
_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  0.37  0.85  0.37  1.0
  La  La1  1  0.77  0.6  0.6  1.0
  Tl  Tl2  1  0.62  0.62  0.62  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0

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