data_[Re6Ni2O16]
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 [Cm]
_cell_length_a [9.5872]
_cell_length_b [5.7611]
_cell_length_c [4.7955]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.5432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Re3NiO8]
_chemical_formula_sum '[Re6 Ni2 O16]'
_cell_volume [264.7746]
_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
[
  Re  Re0  4  0.0002  0.2213  0.0012  1.0
  Re  Re1  2  0.2387  0.5000  0.5077  1.0
  Ni  Ni2  2  0.2644  0.0000  0.4904  1.0
  O  O3  4  0.1442  0.2543  0.2948  1.0
  O  O4  4  0.3530  0.2714  0.7112  1.0
  O  O5  2  0.0943  0.5000  0.8010  1.0
  O  O6  2  0.1131  0.0000  0.7889  1.0
  O  O7  2  0.3842  0.5000  0.2226  1.0
  O  O8  2  0.4104  0.0000  0.1749  1.0
]