data_[Nb4Bi4Br4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  Bi  2.0200  1.6000  1.0350
  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 [12.0582]
_cell_length_b [6.9271]
_cell_length_c [7.1959]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.2543]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NbBiBrO4]
_chemical_formula_sum '[Nb4 Bi4 Br4 O16]'
_cell_volume [582.5545]
_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
[
  Nb  Nb0  4  0.1308  0.5000  0.2690  1
  Bi  Bi1  4  0.2178  0.5000  0.8395  1
  Br  Br2  4  0.0171  0.0000  0.6647  1
  O  O3  8  0.1798  0.2908  0.1409  1
  O  O4  4  0.0278  0.5000  0.7709  1
  O  O5  4  0.2030  0.5000  0.5306  1
]