data_[K2Sr1Mg1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [8.5558]
_cell_length_b [8.5558]
_cell_length_c [6.6862]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [K2SrMgI6]
_chemical_formula_sum '[K2 Sr1 Mg1 I6]'
_cell_volume [489.4333]
_cell_formula_units_Z [1]
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  0.0000  0.5000  0.0185  1.0
  Sr  Sr1  1  0.5000  0.5000  0.6372  1.0
  Mg  Mg2  1  0.0000  0.0000  0.5996  1.0
  I  I3  4  0.2345  0.2345  0.7068  1.0
  I  I4  1  0.0000  0.0000  0.1942  1.0
  I  I5  1  0.5000  0.5000  0.1515  1.0
]