data_[Sr8Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [16.9028]
_cell_length_b [4.6722]
_cell_length_c [10.3360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.2949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2Cl3]
_chemical_formula_sum '[Sr8 Cl12]'
_cell_volume [725.3764]
_cell_formula_units_Z [4]
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  4  0.1094  0.5000  0.9089  1.0
  Sr  Sr1  4  0.1388  0.0000  0.3100  1.0
  Cl  Cl2  4  0.0421  0.0000  0.7224  1.0
  Cl  Cl3  4  0.1648  0.5000  0.4872  1.0
  Cl  Cl4  4  0.2151  0.0000  0.1040  1.0
]