data_[Nb4Te28Br20O4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nb  1.6000  1.4500  0.8200
  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 [Pcca]
_cell_length_a [27.0227]
_cell_length_b [8.6134]
_cell_length_c [8.2045]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [54]
_chemical_formula_structural [NbTe7Br5O]
_chemical_formula_sum '[Nb4 Te28 Br20 O4]'
_cell_volume [1909.6545]
_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  0.2500  0.5000  0.2154  1
  Te  Te1  8  0.0746  0.2478  0.9381  1
  Te  Te2  8  0.0785  0.2321  0.5829  1
  Te  Te3  8  0.1423  0.0163  0.0277  1
  Te  Te4  4  0.0000  0.0000  0.0000  1
  Br  Br5  8  0.1581  0.4334  0.2547  1
  Br  Br6  8  0.2286  0.2097  0.7519  1
  Br  Br7  4  0.0000  0.4930  0.2500  1
  O  O8  4  0.2500  0.5000  0.4981  1
]