data_[Cr8Ni4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Ni  1.9100  1.3500  0.7400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [10.3407]
_cell_length_b [5.9517]
_cell_length_c [5.9910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.2610]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [Cr2NiO4]
_chemical_formula_sum '[Cr8 Ni4 O16]'
_cell_volume [304.7326]
_cell_formula_units_Z [4]
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
[
  Cr  Cr0  4  0.2497  0.7504  0.4996  1.0
  Cr  Cr1  2  0.0000  0.9992  0.5000  1.0
  Cr  Cr2  2  0.0000  0.9995  0.0000  1.0
  Ni  Ni3  4  0.1251  0.4968  0.8804  1.0
  O  O4  4  0.0115  0.7698  0.2616  1.0
  O  O5  4  0.0135  0.2289  0.2644  1.0
  O  O6  4  0.2356  0.0024  0.7125  1.0
  O  O7  4  0.2386  0.0002  0.2586  1.0
]