data_[Rb8Na4Ca4I20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.8185]
_cell_length_b [20.8979]
_cell_length_c [16.4686]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Rb2NaCaI5]
_chemical_formula_sum '[Rb8 Na4 Ca4 I20]'
_cell_volume [1658.3168]
_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  0.0901  0.6583  1.0
  Rb  Rb1  4  0.0000  0.1346  0.3034  1.0
  Na  Na2  4  0.0000  0.4505  0.4472  1.0
  Ca  Ca3  4  0.0000  0.2205  0.0268  1.0
  I  I4  4  0.0000  0.0724  0.0597  1.0
  I  I5  4  0.0000  0.2674  0.6585  1.0
  I  I6  4  0.0000  0.2995  0.4006  1.0
  I  I7  4  0.0000  0.3677  0.9925  1.0
  I  I8  4  0.0000  0.4983  0.7769  1.0
]