data_[K2Li2Mg2I8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [7.1599]
_cell_length_b [9.0550]
_cell_length_c [9.5549]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KLiMgI4]
_chemical_formula_sum '[K2 Li2 Mg2 I8]'
_cell_volume [606.6343]
_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  2  0.1832  0.2500  0.0754  1.0
  Li  Li1  2  0.2928  0.2500  0.6848  1.0
  Mg  Mg2  2  0.2171  0.7500  0.3119  1.0
  I  I3  4  0.0431  0.0207  0.7357  1.0
  I  I4  2  0.3983  0.7500  0.0809  1.0
  I  I5  2  0.4850  0.2500  0.4611  1.0
]