data_[Cd1Re1B1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [P3]
_cell_length_a [4.9509]
_cell_length_b [4.9509]
_cell_length_c [5.0724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [143]
_chemical_formula_structural [CdReBO6]
_chemical_formula_sum '[Cd1 Re1 B1 O6]'
_cell_volume [107.6739]
_cell_formula_units_Z [1]
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
[
  Cd  Cd0  1  0.6667  0.3333  0.0717  1
  Re  Re1  1  0.0000  0.0000  0.5691  1
  B  B2  1  0.3333  0.6667  0.2969  1
  O  O3  3  0.0855  0.3609  0.2887  1
  O  O4  3  0.3238  0.2986  0.7320  1
]