data_[Tc16B4H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.8162]
_cell_length_b [2.8942]
_cell_length_c [6.5740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.0063]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Tc8B2H]
_chemical_formula_sum '[Tc16 B4 H2]'
_cell_volume [261.4332]
_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
[
  Tc  Tc0  4  0.0141  0.0000  0.2077  1
  Tc  Tc1  4  0.0927  0.5000  0.5331  1
  Tc  Tc2  4  0.1555  0.5000  0.9807  1
  Tc  Tc3  4  0.2099  0.0000  0.3246  1
  B  B4  4  0.1757  0.0000  0.7362  1
  H  H5  2  0.0000  0.5000  0.0000  1
]