data_[V2Fe4Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Fe  1.8300  1.4000  0.8525
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.9350]
_cell_length_b [10.3033]
_cell_length_c [6.2475]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.6065]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V(FeBr4)2]
_chemical_formula_sum '[V2 Fe4 Br16]'
_cell_volume [767.4643]
_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
[
  V  V0  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe1  4  0.1894  0.0000  0.6471  1.0
  Br  Br2  8  0.0889  0.1819  0.7861  1.0
  Br  Br3  4  0.1233  0.5000  0.2484  1.0
  Br  Br4  4  0.1806  0.0000  0.2608  1.0
]