data_SrTiCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.06
_cell_length_b   7.06
_cell_length_c   4.62
_cell_angle_alpha   107.47
_cell_angle_beta   107.47
_cell_angle_gamma   28.76
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTiCl2
_chemical_formula_sum   'Sr1 Ti1 Cl2'
_cell_volume   105.36
_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
  Sr  Sr2  1  0.14  0.0  0.14  1.0
  Ti  Ti3  1  0.21  0.0  0.36  1.0
  Cl  Cl0  1  0.01  0.0  0.25  1.0
  Cl  Cl1  1  0.24  0.0  0.24  1.0

data_SrTiCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.62
_cell_length_c   7.06
_cell_angle_alpha   107.47
_cell_angle_beta   104.38
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTiCl2
_chemical_formula_sum   'Sr1 Ti1 Cl2'
_cell_volume   105.36
_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
  Sr  Sr0  1  0.0  0.14  0.14  1.0
  Ti  Ti1  1  0.0  0.36  0.21  1.0
  Cl  Cl2  1  0.0  0.24  0.24  1.0
  Cl  Cl3  1  0.0  0.25  0.01  1.0

Sr Ti Cl Cl
Sr Ti Cl Cl 0 3 o o o 0 2 o o o 1 3 o o o 1 2 o o o 