data_TiSb2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   7.06
_cell_angle_alpha   154.11
_cell_angle_beta   141.12
_cell_angle_gamma   47.31
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSb2Cl
_chemical_formula_sum   'Ti1 Sb2 Cl1'
_cell_volume   96.29
_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  0.0  0.0  0.47  1.0
  Sb  Sb1  1  0.0  0.35  0.51  1.0
  Sb  Sb2  1  0.58  0.0  0.96  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_TiSb2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.7
_cell_length_c   7.06
_cell_angle_alpha   109.44
_cell_angle_beta   102.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiSb2Cl
_chemical_formula_sum   'Ti1 Sb2 Cl1'
_cell_volume   96.29
_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  0.47  0.47  1.0
  Sb  Sb1  1  0.0  0.96  0.38  1.0
  Sb  Sb2  1  0.65  0.16  0.16  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Ti Sb Sb Cl
Ti Sb Sb Cl 0 1 o o o 0 2 - o - 0 2 o o o 1 2 - o - 1 3 o + + 1 3 o o o 