data_[Rb4Ca2I8]
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
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.4516]
_cell_length_b [4.7471]
_cell_length_c [9.9986]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.9543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2CaI4]
_chemical_formula_sum '[Rb4 Ca2 I8]'
_cell_volume [647.8296]
_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
[
  Rb  Rb0  4  0.1497  0.5000  0.6769  1.0
  Ca  Ca1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.0559  0.0000  0.3436  1.0
  I  I3  4  0.1534  0.5000  0.0625  1.0
]