data_[Tc4H4C4]
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
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5726]
_cell_length_b [2.9250]
_cell_length_c [4.6319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2909]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TcHC]
_chemical_formula_sum '[Tc4 H4 C4]'
_cell_volume [113.0342]
_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  2  0.3694  0.0000  0.5586  1
  Tc  Tc1  2  0.4965  0.5000  0.0068  1
  H  H2  2  0.1895  0.0000  0.2654  1
  H  H3  2  0.4675  0.0000  0.2525  1
  C  C4  2  0.1087  0.5000  0.8219  1
  C  C5  2  0.2550  0.5000  0.7331  1
]