data_[Nd4Te8Br4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
  Br  2.9600  1.1500  0.8825
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [5.4498]
_cell_length_b [5.4498]
_cell_length_c [19.0110]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [NdTe2BrO5]
_chemical_formula_sum '[Nd4 Te8 Br4 O20]'
_cell_volume [564.6395]
_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  0.5000  0.2500  1.0
  Te  Te1  4  0.0000  0.0000  0.1285  1.0
  Te  Te2  4  0.0000  0.0000  0.3936  1.0
  Br  Br3  4  0.0000  0.5000  0.0000  1.0
  O  O4  16  0.2335  0.2335  0.6580  1.0
  O  O5  4  0.0000  0.0000  0.2307  1.0
]