data_[V3In6Br18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [6.8925]
_cell_length_b [6.8925]
_cell_length_c [23.9438]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [V(InBr3)2]
_chemical_formula_sum '[V3 In6 Br18]'
_cell_volume [985.0874]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.3510  1
  In  In1  3  0.0000  0.0000  0.5171  1
  In  In2  3  0.0000  0.0000  0.6861  1
  Br  Br3  9  0.0105  0.3165  0.4148  1
  Br  Br4  9  0.0132  0.6509  0.9557  1
]