data_[Rb8Ca4In4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [Cmc2_1]
_cell_length_a [4.8365]
_cell_length_b [21.2887]
_cell_length_c [17.1281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2CaInI5]
_chemical_formula_sum '[Rb8 Ca4 In4 I20]'
_cell_volume [1763.5489]
_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
[
  Rb  Rb0  4  0.0000  0.0774  0.6449  1.0
  Rb  Rb1  4  0.0000  0.1352  0.2987  1.0
  Ca  Ca2  4  0.0000  0.2332  0.0334  1.0
  In  In3  4  0.0000  0.4494  0.4483  1.0
  I  I4  4  0.0000  0.0915  0.0760  1.0
  I  I5  4  0.0000  0.2504  0.6588  1.0
  I  I6  4  0.0000  0.2917  0.4125  1.0
  I  I7  4  0.0000  0.3757  0.9866  1.0
  I  I8  4  0.0000  0.4952  0.7649  1.0
]