data_[Cs4K2Ca2I10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [6.0230]
_cell_length_b [8.7361]
_cell_length_c [18.4879]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Cs2KCaI5]
_chemical_formula_sum '[Cs4 K2 Ca2 I10]'
_cell_volume [972.7937]
_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  0.2053  1.0
  K  K1  2  0.0000  0.5000  0.0000  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  I  I3  8  0.0000  0.2458  0.3787  1.0
  I  I4  2  0.0000  0.0000  0.0000  1.0
]