data_TiTe2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.88
_cell_length_b   3.88
_cell_length_c   8.28
_cell_angle_alpha   91.62
_cell_angle_beta   91.62
_cell_angle_gamma   58.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiTe2Cl
_chemical_formula_sum   'Ti1 Te2 Cl1'
_cell_volume   106.52
_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
  Ti  Ti3  1  0.25  0.0  0.14  1.0
  Te  Te1  1  0.0  0.0  0.8  1.0
  Te  Te2  1  0.49  0.0  0.48  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TiTe2Cl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.88
_cell_length_b   6.64
_cell_length_c   8.28
_cell_angle_alpha   90.0
_cell_angle_beta   91.62
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TiTe2Cl
_chemical_formula_sum   'Ti2 Te4 Cl2'
_cell_volume   213.12
_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
  Ti  Ti0  2  0.25  0.5  0.86  1.0
  Te  Te1  2  0.01  0.5  0.52  1.0
  Te  Te2  2  0.5  0.5  0.2  1.0
  Cl  Cl3  2  0.0  0.0  0.0  1.0

Ti Te Te Cl