data_[Fe4Cu2Se4Cl4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4302]
_cell_length_b [6.4692]
_cell_length_c [7.0722]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe2CuSe2(ClO3)2]
_chemical_formula_sum '[Fe4 Cu2 Se4 Cl4 O12]'
_cell_volume [389.7851]
_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
[
  Fe  Fe0  4  0.0243  0.5000  0.7793  1
  Cu  Cu1  2  0.0000  0.0000  0.0000  1
  Se  Se2  4  0.1456  0.0000  0.7263  1
  Cl  Cl3  4  0.1933  0.5000  0.5905  1
  O  O4  8  0.0747  0.1871  0.8438  1
  O  O5  4  0.1572  0.5000  0.1230  1
]