data_[Ca4In16Cl24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Cc]
_cell_length_a [12.4061]
_cell_length_b [8.9582]
_cell_length_c [14.0312]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8854]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Ca(In2Cl3)2]
_chemical_formula_sum '[Ca4 In16 Cl24]'
_cell_volume [1520.1126]
_cell_formula_units_Z [4]
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
[
  Ca  Ca0  4  0.1348  0.1946  0.3871  1
  In  In1  4  0.0314  0.2205  0.7705  1
  In  In2  4  0.0905  0.2846  0.0770  1
  In  In3  4  0.2936  0.2727  0.6894  1
  In  In4  4  0.3456  0.2300  0.9596  1
  Cl  Cl5  4  0.0313  0.3899  0.2535  1
  Cl  Cl6  4  0.0731  0.3517  0.5353  1
  Cl  Cl7  4  0.1753  0.0376  0.2337  1
  Cl  Cl8  4  0.3269  0.1372  0.5121  1
  Cl  Cl9  4  0.3469  0.3951  0.1339  1
  Cl  Cl10  4  0.4708  0.4909  0.9021  1
]