data_[Cd4Tc4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cd  1.6900  1.5500  1.0900
  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 [9.0470]
_cell_length_b [3.1622]
_cell_length_c [6.8288]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CdTcH]
_chemical_formula_sum '[Cd4 Tc4 H4]'
_cell_volume [156.7560]
_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
[
  Cd  Cd0  4  0.0819  0.0000  0.3705  1
  Tc  Tc1  4  0.1654  0.5000  0.0796  1
  H  H2  4  0.2076  0.5000  0.8400  1
]