data_[Sr4Mg2Cu2I4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  I  2.6600  1.4000  1.2733
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [4.0490]
_cell_length_b [4.0490]
_cell_length_c [26.8460]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [Sr2MgCu(IO)2]
_chemical_formula_sum '[Sr4 Mg2 Cu2 I4 O4]'
_cell_volume [440.1296]
_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
[
  Sr  Sr0  2  0.0000  0.0000  0.4443  1
  Sr  Sr1  2  0.0000  0.0000  0.5657  1
  Mg  Mg2  2  0.0000  0.0000  0.2636  1
  Cu  Cu3  2  0.0000  0.0000  0.0052  1
  I  I4  2  0.0000  0.0000  0.1369  1
  I  I5  2  0.0000  0.0000  0.8736  1
  O  O6  4  0.0000  0.5000  0.0053  1
]