data_[Ta3V9H18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  V  1.6300  1.3500  0.7775
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R3]
_cell_length_a [4.7565]
_cell_length_b [4.7565]
_cell_length_c [11.2437]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [146]
_chemical_formula_structural [Ta(VH2)3]
_chemical_formula_sum '[Ta3 V9 H18]'
_cell_volume [220.3016]
_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
[
  Ta  Ta0  3  0.0000  0.0000  0.1261  1
  V  V1  3  0.0000  0.0000  0.3721  1
  V  V2  3  0.0000  0.0000  0.6245  1
  V  V3  3  0.0000  0.0000  0.8681  1
  H  H4  9  0.0642  0.6761  0.9226  1
  H  H5  9  0.0870  0.4015  0.4138  1
]