data_[Tb4Nb4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  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 [12.4955]
_cell_length_b [6.4734]
_cell_length_c [7.0102]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6458]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TbNbBrO4]
_chemical_formula_sum '[Tb4 Nb4 Br4 O16]'
_cell_volume [548.6154]
_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
[
  Tb  Tb0  4  0.2087  0.5000  0.8449  1
  Nb  Nb1  4  0.1262  0.5000  0.2548  1
  Br  Br2  4  0.0145  0.0000  0.6688  1
  O  O3  8  0.1812  0.2813  0.1227  1
  O  O4  4  0.0264  0.5000  0.7914  1
  O  O5  4  0.1904  0.5000  0.5227  1
]