data_[Fe8Cu2Ni2O16]
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
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4853]
_cell_length_b [5.9617]
_cell_length_c [5.9133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1177]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Fe4CuNiO8]
_chemical_formula_sum '[Fe8 Cu2 Ni2 O16]'
_cell_volume [306.0253]
_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  0.1160  0.5000  0.8645  1.0
  Fe  Fe1  4  0.2500  0.2500  0.5000  1.0
  Cu  Cu2  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.0124  0.2357  0.2715  1.0
  O  O5  4  0.2384  0.5000  0.2551  1.0
  O  O6  4  0.2455  0.0000  0.2593  1.0
]