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 [Ima2]
_cell_length_a [5.9452]
_cell_length_b [8.5520]
_cell_length_c [5.9873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Cr2NiO4]
_chemical_formula_sum '[Cr8 Ni4 O16]'
_cell_volume [304.4156]
_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  0.0000  0.0000  0.4988  1.0
  Cr  Cr1  4  0.2500  0.7492  0.7502  1.0
  Ni  Ni2  4  0.2500  0.1251  0.9949  1.0
  O  O3  8  0.0196  0.7364  0.0034  1.0
  O  O4  4  0.2500  0.5108  0.7697  1.0
  O  O5  4  0.2500  0.5159  0.2273  1.0
]