data_[Rb1V1Hg1I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  V  1.6300  1.3500  0.7775
  Hg  2.0000  1.5000  1.2450
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.6433]
_cell_length_b [7.8403]
_cell_length_c [7.8835]
_cell_angle_alpha [60.3932]
_cell_angle_beta [67.6900]
_cell_angle_gamma [86.7580]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [RbVHgI6]
_chemical_formula_sum '[Rb1 V1 Hg1 I6]'
_cell_volume [374.9260]
_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
[
  Rb  Rb0  1  0.6010  0.3498  0.2544  1.0
  V  V1  1  0.4839  0.6614  0.6604  1.0
  Hg  Hg2  1  0.1655  0.9717  0.1152  1.0
  I  I3  1  0.1956  0.3617  0.0715  1.0
  I  I4  1  0.2223  0.9348  0.7472  1.0
  I  I5  1  0.2287  0.6416  0.4747  1.0
  I  I6  1  0.6721  0.3652  0.6647  1.0
  I  I7  1  0.6946  0.8006  0.7787  1.0
  I  I8  1  0.7363  0.9130  0.2335  1.0
]