data_[Ta6H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6569]
_cell_length_b [3.2109]
_cell_length_c [4.5616]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.8925]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta3H4]
_chemical_formula_sum '[Ta6 H8]'
_cell_volume [130.3017]
_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
[
  Ta  Ta0  4  0.1552  0.5000  0.6801  1.0
  Ta  Ta1  2  0.0000  0.0000  0.0000  1.0
  H  H2  4  0.1433  0.5000  0.0883  1.0
  H  H3  4  0.1638  0.0000  0.4308  1.0
]