data_[Tc4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0910]
_cell_length_b [2.9074]
_cell_length_c [2.9084]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7348]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TcH2]
_chemical_formula_sum '[Tc4 H8]'
_cell_volume [100.1041]
_cell_formula_units_Z [4]
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
[
  Tc  Tc0  4  0.1851  0.5000  0.1941  1
  H  H1  4  0.0878  0.5000  0.6149  1
  H  H2  4  0.0923  0.0000  0.1193  1
]