data_[Re18Se24O54]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Se  2.5500  1.1500  1.0133
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [16.0519]
_cell_length_b [16.0519]
_cell_length_c [10.2481]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Re3Se4O9]
_chemical_formula_sum '[Re18 Se24 O54]'
_cell_volume [2286.8157]
_cell_formula_units_Z [6]
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  18  0.0769  0.1538  0.8491  1
  Se  Se1  18  0.0965  0.1931  0.0908  1
  Se  Se2  6  0.0000  0.0000  0.2816  1
  O  O3  36  0.0322  0.4538  0.0421  1
  O  O4  18  0.0835  0.5418  0.4133  1
]