data_[Cs2Ca4In4Cl14]
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
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.4441]
_cell_length_b [5.8462]
_cell_length_c [26.4955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [CsCa2In2Cl7]
_chemical_formula_sum '[Cs2 Ca4 In4 Cl14]'
_cell_volume [843.2761]
_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  0.5000  1.0
  Ca  Ca1  4  0.0000  0.0000  0.1017  1.0
  In  In2  4  0.0000  0.5000  0.2202  1.0
  Cl  Cl3  4  0.0000  0.0000  0.2055  1.0
  Cl  Cl4  4  0.0000  0.5000  0.1058  1.0
  Cl  Cl5  4  0.0000  0.5000  0.4023  1.0
  Cl  Cl6  2  0.0000  0.0000  0.0000  1.0
]