data_[Nd4Re4O16]
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 [Cmcm]
_cell_length_a [3.8524]
_cell_length_b [15.5119]
_cell_length_c [5.6259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [NdReO4]
_chemical_formula_sum '[Nd4 Re4 O16]'
_cell_volume [336.1954]
_cell_formula_units_Z [4]
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  0.0000  0.1938  0.2500  1
  Re  Re1  4  0.0000  0.4185  0.2500  1
  O  O2  8  0.0000  0.3190  0.0084  1
  O  O3  4  0.0000  0.0861  0.7500  1
  O  O4  4  0.0000  0.5000  0.0000  1
]