data_Sr2SiCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.6
_cell_length_b   5.6
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr2SiCl
_chemical_formula_sum   'Sr2 Si1 Cl1'
_cell_volume   111.88
_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  0.8  0.79  1.0
  Sr  Sr3  1  0.8  0.0  0.79  1.0
  Si  Si1  1  0.0  0.0  0.0  1.0
  Cl  Cl0  1  0.8  0.8  0.0  1.0

data_Sr2SiCl
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.92
_cell_length_b   7.92
_cell_length_c   3.57
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sr2SiCl
_chemical_formula_sum   'Sr4 Si2 Cl2'
_cell_volume   223.76
_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  4  0.4  0.4  0.79  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Cl  Cl2  2  0.3  0.5  -0.0  1.0

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