data_[Ba6Nd3Re9O36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Nd  1.1400  1.8500  1.2765
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [7.4841]
_cell_length_b [7.4841]
_cell_length_c [16.4358]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Ba2Nd(ReO4)3]
_chemical_formula_sum '[Ba6 Nd3 Re9 O36]'
_cell_volume [797.2675]
_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
[
  Ba  Ba0  6  0.0000  0.0000  0.3841  1.0
  Nd  Nd1  3  0.0000  0.0000  0.0000  1.0
  Re  Re2  9  0.0000  0.5000  0.5000  1.0
  O  O3  18  0.0279  0.5140  0.3863  1.0
  O  O4  18  0.0810  0.5405  0.8210  1.0
]