data_LaTiTe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.06
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiTe
_chemical_formula_sum   'La1 Ti1 Te1'
_cell_volume   81.96
_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  0.41  0.39  0.03  1.0
  Ti  Ti2  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.79  0.0  1.0

data_LaTiTe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.06
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiTe
_chemical_formula_sum   'La1 Ti1 Te1'
_cell_volume   81.96
_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  0.03  0.41  0.39  1.0
  Ti  Ti1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.0  0.0  0.79  1.0

La Ti Te
La Ti Te 0 1 o o o 1 2 o - o 