data_[V6Sn2H2]
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 [P-1]
_cell_length_a [4.4261]
_cell_length_b [5.1147]
_cell_length_c [6.5838]
_cell_angle_alpha [108.7802]
_cell_angle_beta [90.0409]
_cell_angle_gamma [114.6453]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [V3SnH]
_chemical_formula_sum '[V6 Sn2 H2]'
_cell_volume [126.6675]
_cell_formula_units_Z [2]
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  2  0.2581  0.0321  0.8898  1.0
  V  V1  2  0.2596  0.0359  0.3762  1.0
  V  V2  2  0.4927  0.4816  0.2464  1.0
  Sn  Sn3  1  0.0000  0.5000  0.0000  1.0
  Sn  Sn4  1  0.0000  0.5000  0.5000  1.0
  H  H5  2  0.4342  0.1225  0.6558  1.0
]