data_[Cs2Ca2In2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.8831]
_cell_length_b [8.4809]
_cell_length_c [10.4593]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2075]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsCaInI4]
_chemical_formula_sum '[Cs2 Ca2 In2 I8]'
_cell_volume [756.6479]
_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  0.2372  0.7500  0.0331  1.0
  Ca  Ca1  2  0.2713  0.2500  0.3323  1.0
  In  In2  2  0.1974  0.7500  0.5320  1.0
  I  I3  4  0.0227  0.5056  0.2820  1.0
  I  I4  2  0.3975  0.2500  0.0981  1.0
  I  I5  2  0.4946  0.2500  0.6071  1.0
]