data_[V1Ag1I1Cl6]
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
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.5654]
_cell_length_b [7.5341]
_cell_length_c [7.6545]
_cell_angle_alpha [64.4973]
_cell_angle_beta [70.7618]
_cell_angle_gamma [69.2848]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [VAgICl6]
_chemical_formula_sum '[V1 Ag1 I1 Cl6]'
_cell_volume [312.5208]
_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  0.4492  0.5851  0.7223  1
  Ag  Ag1  1  0.6339  0.4240  0.2801  1
  I  I2  1  0.9601  0.9501  0.0634  1
  Cl  Cl3  1  0.1451  0.8640  0.7400  1
  Cl  Cl4  1  0.3099  0.3341  0.9137  1
  Cl  Cl5  1  0.3644  0.6925  0.4191  1
  Cl  Cl6  1  0.5935  0.6555  0.9091  1
  Cl  Cl7  1  0.7479  0.0510  0.3630  1
  Cl  Cl8  1  0.7960  0.4439  0.5890  1
]