data_[Sr3Fe1Cu2O9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [5.5200]
_cell_length_b [5.5200]
_cell_length_c [6.7490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sr3FeCu2O9]
_chemical_formula_sum '[Sr3 Fe1 Cu2 O9]'
_cell_volume [178.0969]
_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  0.3333  0.6667  0.3297  1.0
  Sr  Sr1  1  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  1  0.0000  0.0000  0.5000  1.0
  Cu  Cu3  2  0.3333  0.6667  0.8334  1.0
  O  O4  6  0.1670  0.8330  0.6648  1.0
  O  O5  3  0.0000  0.5000  0.0000  1.0
]