data_[V3Ga6F18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Ga  1.8100  1.3000  0.7600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [5.8026]
_cell_length_b [5.8026]
_cell_length_c [14.6851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [VGa2F6]
_chemical_formula_sum '[V3 Ga6 F18]'
_cell_volume [428.2059]
_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  0.3168  1
  Ga  Ga1  3  0.0000  0.0000  0.5149  1
  Ga  Ga2  3  0.0000  0.0000  0.8144  1
  F  F3  9  0.0804  0.7156  0.2492  1
  F  F4  9  0.0865  0.4080  0.0907  1
]