data_[Cs6Ca4I4Cl10]
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
  I  2.6600  1.4000  1.2733
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.5136]
_cell_length_b [5.5136]
_cell_length_c [30.3733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Cs3Ca2I2Cl5]
_chemical_formula_sum '[Cs6 Ca4 I4 Cl10]'
_cell_volume [923.3320]
_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  4  0.0000  0.0000  0.1750  1.0
  Cs  Cs1  2  0.0000  0.0000  0.0000  1.0
  Ca  Ca2  4  0.0000  0.0000  0.4099  1.0
  I  I3  4  0.0000  0.0000  0.3057  1.0
  Cl  Cl4  8  0.0000  0.5000  0.0889  1.0
  Cl  Cl5  2  0.0000  0.0000  0.5000  1.0
]