data_La2TiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   3.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.93
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiTe
_chemical_formula_sum   'La2 Ti1 Te1'
_cell_volume   109.96
_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  0.63  0.76  0.87  1.0
  La  La1  1  0.63  0.24  0.87  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.27  0.0  0.0  1.0

data_La2TiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.75
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   107.93
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2TiTe
_chemical_formula_sum   'La2 Ti1 Te1'
_cell_volume   109.96
_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  0.87  0.63  0.24  1.0
  La  La1  1  0.87  0.63  0.76  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Te  Te3  1  -0.0  0.27  0.0  1.0

La La Ti Te
La La Ti Te 0 2 + + + 1 3 o o + 2 3 o o o 