data_[Sr4Mg1Fe2Cl2O6]
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
  Fe  1.8300  1.4000  0.8525
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.0696]
_cell_length_b [4.0696]
_cell_length_c [14.9810]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Sr4MgFe2(ClO3)2]
_chemical_formula_sum '[Sr4 Mg1 Fe2 Cl2 O6]'
_cell_volume [248.1158]
_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
[
  Sr  Sr0  2  0.0000  0.5000  0.6364  1
  Sr  Sr1  2  0.0000  0.5000  0.8521  1
  Mg  Mg2  1  0.0000  0.0000  0.5000  1
  Fe  Fe3  2  0.0000  0.5000  0.2753  1
  Cl  Cl4  2  0.0000  0.5000  0.0728  1
  O  O5  2  0.0000  0.0000  0.2659  1
  O  O6  2  0.0000  0.5000  0.4478  1
  O  O7  2  0.5000  0.5000  0.2582  1
]