data_[K2Rb4Mg4I14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.8800]
_cell_length_b [5.8800]
_cell_length_c [29.8137]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [KRb2Mg2I7]
_chemical_formula_sum '[K2 Rb4 Mg4 I14]'
_cell_volume [1030.7874]
_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  0.0000  0.0000  0.1785  1.0
  K  K1  2  0.0000  0.0000  0.0000  1.0
  Mg  Mg2  4  0.0000  0.0000  0.3992  1.0
  I  I3  8  0.0000  0.5000  0.0942  1.0
  I  I4  4  0.0000  0.0000  0.3035  1.0
  I  I5  2  0.0000  0.0000  0.5000  1.0
]