data_SrCl2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   11.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCl2
_chemical_formula_sum   'Sr2 Cl4'
_cell_volume   185.78
_cell_formula_units_Z   2
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  Sr4  1  0.0  0.0  0.81  1.0
  Sr  Sr5  1  0.0  0.0  0.94  1.0
  Cl  Cl0  1  0.0  0.47  0.42  1.0
  Cl  Cl1  1  0.14  0.23  0.54  1.0
  Cl  Cl2  1  0.14  0.23  0.33  1.0
  Cl  Cl3  1  0.0  0.47  0.2  1.0

data_SrCl2
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.27
_cell_length_b   4.27
_cell_length_c   11.75
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCl2
_chemical_formula_sum   'Sr2 Cl4'
_cell_volume   185.78
_cell_formula_units_Z   2
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  0.0  0.81  1.0
  Sr  Sr1  1  0.0  0.0  0.94  1.0
  Cl  Cl2  1  0.0  0.47  0.2  1.0
  Cl  Cl3  1  0.0  0.47  0.42  1.0
  Cl  Cl4  1  0.14  0.23  0.33  1.0
  Cl  Cl5  1  0.14  0.23  0.54  1.0

Sr Sr Cl Cl Cl Cl
Sr Sr Cl Cl Cl Cl 0 1 o o o 2 4 o o o 2 3 o o o 4 5 o o o 