data_[Rb4Na4Ca4I16]
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 [Imma]
_cell_length_a [9.4246]
_cell_length_b [9.5026]
_cell_length_c [15.4104]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [RbNaCaI4]
_chemical_formula_sum '[Rb4 Na4 Ca4 I16]'
_cell_volume [1380.1353]
_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  0.2500  0.8900  1.0
  Na  Na1  4  0.0000  0.0000  0.5000  1.0
  Ca  Ca2  4  0.2500  0.2500  0.2500  1.0
  I  I3  8  0.0000  0.0242  0.2648  1.0
  I  I4  8  0.2285  0.2500  0.4556  1.0
]