data_[Re4O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.0804]
_cell_length_b [5.1920]
_cell_length_c [19.1532]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [94.0579]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ReO]
_chemical_formula_sum '[Re4 O4]'
_cell_volume [503.9545]
_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  2  0.2674  0.7531  0.9518  1
  Re  Re1  2  0.3914  0.2104  0.9629  1
  O  O2  2  0.0841  0.2587  0.0183  1
  O  O3  2  0.3758  0.4728  0.8916  1
]