data_[V1Ag2I1Br3]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6702]
_cell_length_b [6.2073]
_cell_length_c [7.4938]
_cell_angle_alpha [111.6915]
_cell_angle_beta [111.3052]
_cell_angle_gamma [90.1856]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [VAg2IBr3]
_chemical_formula_sum '[V1 Ag2 I1 Br3]'
_cell_volume [225.4290]
_cell_formula_units_Z [1]
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  1  0.9590  0.0058  0.0059  1
  Ag  Ag1  1  0.2663  0.7663  0.5164  1
  Ag  Ag2  1  0.4930  0.5079  0.9972  1
  I  I3  1  0.6765  0.5805  0.7191  1
  Br  Br4  1  0.1129  0.1181  0.7734  1
  Br  Br5  1  0.3499  0.8971  0.2287  1
  Br  Br6  1  0.8925  0.3744  0.2594  1
]