data_[Re4Se12O36]
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 [Cc]
_cell_length_a [15.7607]
_cell_length_b [6.3545]
_cell_length_c [12.0785]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.0790]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [9]
_chemical_formula_structural [Re(SeO3)3]
_chemical_formula_sum '[Re4 Se12 O36]'
_cell_volume [1095.6327]
_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  4  0.2036  0.2124  0.5281  1
  Se  Se1  4  0.0278  0.3127  0.7607  1
  Se  Se2  4  0.0910  0.8914  0.6498  1
  Se  Se3  4  0.3602  0.6339  0.8293  1
  O  O4  4  0.0054  0.0788  0.6521  1
  O  O5  4  0.0176  0.4927  0.1680  1
  O  O6  4  0.0447  0.1636  0.0044  1
  O  O7  4  0.1247  0.4122  0.4557  1
  O  O8  4  0.1838  0.8950  0.1577  1
  O  O9  4  0.1865  0.0180  0.4195  1
  O  O10  4  0.2489  0.3862  0.2290  1
  O  O11  4  0.3165  0.3076  0.5776  1
  O  O12  4  0.4070  0.1880  0.2460  1
]