data_[K2Mg1Zn1I6]
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
  Zn  1.6500  1.3500  0.8800
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.9189]
_cell_length_b [8.3775]
_cell_length_c [9.6043]
_cell_angle_alpha [98.5445]
_cell_angle_beta [95.5216]
_cell_angle_gamma [113.4433]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K2MgZnI6]
_chemical_formula_sum '[K2 Mg1 Zn1 I6]'
_cell_volume [497.6163]
_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  1  0.0105  0.9053  0.9217  1.0
  K  K1  1  0.5231  0.9816  0.4688  1.0
  Mg  Mg2  1  0.1571  0.4709  0.6042  1.0
  Zn  Zn3  1  0.8040  0.4801  0.2998  1.0
  I  I4  1  0.0972  0.1430  0.6456  1.0
  I  I5  1  0.2066  0.4978  0.3226  1.0
  I  I6  1  0.4233  0.7792  0.7868  1.0
  I  I7  1  0.5473  0.1680  0.1535  1.0
  I  I8  1  0.7523  0.4812  0.5820  1.0
  I  I9  1  0.8170  0.7698  0.2301  1.0
]