data_[V4Ag2Br16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ag  1.9300  1.6000  1.0867
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.2783]
_cell_length_b [9.8308]
_cell_length_c [6.6336]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4294]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [V2AgBr8]
_chemical_formula_sum '[V4 Ag2 Br16]'
_cell_volume [864.3724]
_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  4  0.1863  0.0000  0.6513  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0000  1.0
  Br  Br2  8  0.1023  0.1945  0.7658  1.0
  Br  Br3  4  0.1473  0.5000  0.2239  1.0
  Br  Br4  4  0.1807  0.0000  0.2980  1.0
]