data_[Cs2Ca2Cl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.4748]
_cell_length_b [8.1279]
_cell_length_c [8.3758]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4060]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCaCl3]
_chemical_formula_sum '[Cs2 Ca2 Cl6]'
_cell_volume [353.6419]
_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
[
  Cs  Cs0  2  0.3069  0.2500  0.6012  1.0
  Ca  Ca1  2  0.0102  0.2500  0.0220  1.0
  Cl  Cl2  4  0.1166  0.5166  0.2406  1.0
  Cl  Cl3  2  0.4839  0.7500  0.9659  1.0
]