data_TiAsCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.81
_cell_length_b   3.38
_cell_length_c   7.35
_cell_angle_alpha   90.0
_cell_angle_beta   101.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAsCl2
_chemical_formula_sum   'Ti1 As1 Cl2'
_cell_volume   92.77
_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  0.44  0.0  0.96  1.0
  As  As0  1  0.36  0.69  0.43  1.0
  Cl  Cl1  1  0.18  0.0  0.58  1.0
  Cl  Cl2  1  0.53  0.69  0.84  1.0

data_TiAsCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   3.81
_cell_length_c   7.35
_cell_angle_alpha   101.51
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAsCl2
_chemical_formula_sum   'Ti1 As1 Cl2'
_cell_volume   92.77
_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  Ti0  1  0.0  0.56  0.04  1.0
  As  As1  1  0.31  0.64  0.57  1.0
  Cl  Cl2  1  0.0  0.82  0.42  1.0
  Cl  Cl3  1  0.31  0.47  0.16  1.0

Ti As Cl Cl