data_LaTiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   3.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaTiTe2
_chemical_formula_sum   'La1 Ti1 Te2'
_cell_volume   106.84
_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  0.64  0.64  0.0  1.0
  Ti  Ti3  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.64  0.0  0.91  1.0
  Te  Te2  1  0.0  0.64  0.91  1.0

data_LaTiTe2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.47
_cell_length_b   7.47
_cell_length_c   3.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   LaTiTe2
_chemical_formula_sum   'La2 Ti2 Te4'
_cell_volume   213.67
_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  0.14  0.5  0.0  1.0
  Ti  Ti1  2  0.0  0.0  0.0  1.0
  Te  Te2  4  0.32  0.32  0.91  1.0

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