data_[Re4Ni4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  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 [9.4538]
_cell_length_b [5.8250]
_cell_length_c [4.7478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ReNiO4]
_chemical_formula_sum '[Re4 Ni4 O16]'
_cell_volume [261.1824]
_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
[
  Re  Re0  4  0.0000  0.2711  0.5000  1.0
  Ni  Ni1  4  0.2383  0.0000  0.0086  1.0
  O  O2  8  0.1401  0.2579  0.7840  1.0
  O  O3  4  0.0903  0.0000  0.3185  1.0
  O  O4  4  0.1098  0.5000  0.2905  1.0
]