data_[Al4V2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  V  1.6300  1.3500  0.7775
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6586]
_cell_length_b [10.2705]
_cell_length_c [6.3289]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9818]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Al2VBr8]
_chemical_formula_sum '[Al4 V2 Br16]'
_cell_volume [819.7141]
_cell_formula_units_Z [2]
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
[
  Al  Al0  4  0.1872  0.0000  0.6408  1.0
  V  V1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.0926  0.1763  0.7726  1.0
  Br  Br3  4  0.1374  0.5000  0.2473  1.0
  Br  Br4  4  0.1773  0.0000  0.2665  1.0
]