data_[Li4Ca4In8Cl20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [Cmc2_1]
_cell_length_a [4.1339]
_cell_length_b [18.0075]
_cell_length_c [13.9449]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [LiCaIn2Cl5]
_chemical_formula_sum '[Li4 Ca4 In8 Cl20]'
_cell_volume [1038.0828]
_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
[
  Li  Li0  4  0.0000  0.4464  0.4343  1.0
  Ca  Ca1  4  0.0000  0.2046  0.0294  1.0
  In  In2  4  0.0000  0.0920  0.6651  1.0
  In  In3  4  0.0000  0.1305  0.3255  1.0
  Cl  Cl4  4  0.0000  0.0490  0.0244  1.0
  Cl  Cl5  4  0.0000  0.2856  0.6593  1.0
  Cl  Cl6  4  0.0000  0.3134  0.3986  1.0
  Cl  Cl7  4  0.0000  0.3553  0.0032  1.0
  Cl  Cl8  4  0.0000  0.4945  0.7841  1.0
]