data_[Rb2Ba4Re2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ba  0.8900  2.1500  1.4900
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.1342]
_cell_length_b [6.5900]
_cell_length_c [10.6984]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.1576]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbBa2ReO6]
_chemical_formula_sum '[Rb2 Ba4 Re2 O12]'
_cell_volume [357.8759]
_cell_formula_units_Z [2]
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
[
  Rb  Rb0  2  0.5000  0.0000  0.0000  1.0
  Ba  Ba1  4  0.2741  0.5527  0.7591  1.0
  Re  Re2  2  0.0000  0.0000  0.5000  1.0
  O  O3  4  0.0917  0.5655  0.1981  1.0
  O  O4  4  0.2187  0.2371  0.5776  1.0
  O  O5  4  0.2943  0.6537  0.0362  1.0
]