data_[Cs2Ba4In4Cl14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [6.0595]
_cell_length_b [26.9340]
_cell_length_c [6.1485]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CsBa2In2Cl7]
_chemical_formula_sum '[Cs2 Ba4 In4 Cl14]'
_cell_volume [1003.4772]
_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  0.0000  0.0000  0.0564  1.0
  Ba  Ba1  4  0.0000  0.3930  0.0045  1.0
  In  In2  4  0.0000  0.2628  0.5003  1.0
  Cl  Cl3  4  0.0000  0.0856  0.5464  1.0
  Cl  Cl4  4  0.0000  0.2775  0.9987  1.0
  Cl  Cl5  4  0.0000  0.3731  0.5043  1.0
  Cl  Cl6  2  0.0000  0.5000  0.8350  1.0
]