data_[Ba4Na2Re2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Na  0.9300  1.8000  1.1600
  Re  1.9000  1.3500  0.7125
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3196]
_cell_length_b [5.9413]
_cell_length_c [6.0037]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.3673]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ba2NaReO6]
_chemical_formula_sum '[Ba4 Na2 Re2 O12]'
_cell_volume [300.1643]
_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
[
  Ba  Ba0  4  0.2499  0.0000  0.7514  1.0
  Na  Na1  2  0.0000  0.5000  0.5000  1.0
  Re  Re2  2  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0224  0.2256  0.7988  1.0
  O  O4  4  0.2240  0.0000  0.2688  1.0
]