data_[K4Mg2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mg  1.3100  1.5000  0.8600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.2336]
_cell_length_b [4.4968]
_cell_length_c [9.4993]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.3643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2MgI4]
_chemical_formula_sum '[K4 Mg2 I8]'
_cell_volume [567.1207]
_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
[
  K  K0  4  0.1488  0.5000  0.6825  1.0
  Mg  Mg1  2  0.0000  0.0000  0.0000  1.0
  I  I2  4  0.0494  0.0000  0.3354  1.0
  I  I3  4  0.1496  0.5000  0.0679  1.0
]