data_[Cs3Sr6Re3O18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Sr  0.9500  2.0000  1.3200
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.1444]
_cell_length_b [6.1444]
_cell_length_c [16.7417]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [CsSr2ReO6]
_chemical_formula_sum '[Cs3 Sr6 Re3 O18]'
_cell_volume [547.3874]
_cell_formula_units_Z [3]
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
[
  Cs  Cs0  3  0.0000  0.0000  0.7745  1.0
  Sr  Sr1  3  0.0000  0.0000  0.0044  1.0
  Sr  Sr2  3  0.0000  0.0000  0.5261  1.0
  Re  Re3  3  0.0000  0.0000  0.3305  1.0
  O  O4  9  0.0268  0.2740  0.2709  1.0
  O  O5  9  0.1396  0.7461  0.0711  1.0
]