data_[Re2B2O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [2.4716]
_cell_length_b [2.8062]
_cell_length_c [11.0147]
_cell_angle_alpha [87.9377]
_cell_angle_beta [85.7377]
_cell_angle_gamma [70.9885]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [ReBO]
_chemical_formula_sum '[Re2 B2 O2]'
_cell_volume [72.0240]
_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  2  0.2281  0.2004  0.6021  1
  B  B1  2  0.3026  0.7920  0.7861  1
  O  O2  2  0.1938  0.2721  0.1529  1
]