data_[Nd4Re2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [5.5474]
_cell_length_b [6.1029]
_cell_length_c [9.0821]
_cell_angle_alpha [90.0000]
_cell_angle_beta [121.0155]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Nd2ReO6]
_chemical_formula_sum '[Nd4 Re2 O12]'
_cell_volume [263.5137]
_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
[
  Nd  Nd0  4  0.2076  0.0897  0.7431  1.0
  Re  Re1  2  0.5000  0.0000  0.5000  1.0
  O  O2  4  0.1539  0.1570  0.4482  1.0
  O  O3  4  0.2900  0.7342  0.4227  1.0
  O  O4  4  0.4130  0.0605  0.2672  1.0
]