data_[V18Sn6H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  V  1.6300  1.3500  0.7775
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3c]
_cell_length_a [7.0006]
_cell_length_b [7.0006]
_cell_length_c [8.9498]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [167]
_chemical_formula_structural [V3SnH]
_chemical_formula_sum '[V18 Sn6 H6]'
_cell_volume [379.8451]
_cell_formula_units_Z [6]
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  18  0.0000  0.2514  0.2500  1.0
  Sn  Sn1  6  0.0000  0.0000  0.0000  1.0
  H  H2  6  0.0000  0.0000  0.2500  1.0
]