data_[Nd4Nb4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Nb  1.6000  1.4500  0.8200
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6513]
_cell_length_b [6.6628]
_cell_length_c [7.1755]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0487]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdNbBrO4]
_chemical_formula_sum '[Nd4 Nb4 Br4 O16]'
_cell_volume [586.7568]
_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  0.2091  0.5000  0.8399  1
  Nb  Nb1  4  0.1273  0.5000  0.2539  1
  Br  Br2  4  0.0121  0.0000  0.6643  1
  O  O3  8  0.1796  0.2864  0.1231  1
  O  O4  4  0.0230  0.5000  0.7860  1
  O  O5  4  0.1924  0.5000  0.5139  1
]