data_[V4Se16Br4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Se  2.5500  1.1500  1.0133
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3791]
_cell_length_b [13.4629]
_cell_length_c [6.0964]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3198]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [VSe4Br]
_chemical_formula_sum '[V4 Se16 Br4]'
_cell_volume [640.6542]
_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
[
  V  V0  4  0.0000  0.0004  0.2500  1
  Se  Se1  8  0.0433  0.1501  0.5225  1
  Se  Se2  8  0.2337  0.0687  0.1163  1
  Br  Br3  4  0.0000  0.4164  0.2500  1
]