data_[Cs4Sr4Cl12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.2792]
_cell_length_b [9.7919]
_cell_length_c [16.8606]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsSrCl3]
_chemical_formula_sum '[Cs4 Sr4 Cl12]'
_cell_volume [706.4854]
_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
[
  Cs  Cs0  4  0.0000  0.2459  0.2145  1.0
  Sr  Sr1  2  0.0000  0.0000  0.4470  1.0
  Sr  Sr2  2  0.0000  0.0000  0.9571  1.0
  Cl  Cl3  4  0.0000  0.2927  0.4260  1.0
  Cl  Cl4  2  0.0000  0.0000  0.7828  1.0
  Cl  Cl5  2  0.0000  0.5000  0.0618  1.0
  Cl  Cl6  2  0.0000  0.5000  0.5951  1.0
  Cl  Cl7  2  0.0000  0.5000  0.8267  1.0
]