data_SrTaCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.36
_cell_length_b   3.36
_cell_length_c   10.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrTaCl2
_chemical_formula_sum   'Sr1 Ta1 Cl2'
_cell_volume   122.08
_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  0.0  0.0  0.0  1.0
  Ta  Ta3  1  0.0  0.0  0.4  1.0
  Cl  Cl0  1  0.68  0.68  0.1  1.0
  Cl  Cl1  1  0.68  0.68  0.7  1.0

data_SrTaCl2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.75
_cell_length_b   4.75
_cell_length_c   10.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrTaCl2
_chemical_formula_sum   'Sr2 Ta2 Cl4'
_cell_volume   244.15
_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
  Sr  Sr0  2  0.0  0.0  0.0  1.0
  Ta  Ta1  2  0.0  0.0  0.4  1.0
  Cl  Cl2  2  0.18  0.5  0.1  1.0
  Cl  Cl3  2  0.18  0.5  0.7  1.0

Sr Ta Cl Cl
Sr Ta Cl Cl 0 2 - - o 0 3 o - - 0 3 - o - 0 3 - - - 1 2 - - o 1 2 - o o 1 2 o - o 1 3 - - o 1 3 - o o 1 3 o - o 1 1 + o o 1 1 o + o 3 3 + o o 3 3 o + o 