data_[Ba4Nd2Re2O12]
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 [P2_1/c]
_cell_length_a [6.0825]
_cell_length_b [6.0724]
_cell_length_c [10.5186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2125]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ba2NdReO6]
_chemical_formula_sum '[Ba4 Nd2 Re2 O12]'
_cell_volume [317.4217]
_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  0.2537  0.0161  0.7503  1
  Nd  Nd1  2  0.0000  0.0000  0.0000  1
  Re  Re2  2  0.5000  0.0000  0.5000  1
  O  O3  4  0.2260  0.0072  0.2717  1
  O  O4  4  0.2729  0.7069  0.0239  1
  O  O5  4  0.3182  0.2490  0.0249  1
]