data_[Cs1Tc2H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Tc  1.9000  1.3500  0.7417
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [4.8132]
_cell_length_b [4.8132]
_cell_length_c [6.5255]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Cs(TcH4)2]
_chemical_formula_sum '[Cs1 Tc2 H8]'
_cell_volume [130.9208]
_cell_formula_units_Z [1]
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
[
  Cs  Cs0  1  0.0000  0.0000  0.9594  1
  Tc  Tc1  2  0.3333  0.6667  0.4397  1
  H  H2  3  0.0000  0.3000  0.3431  1
  H  H3  3  0.0000  0.6559  0.5826  1
  H  H4  2  0.3333  0.6667  0.1907  1
]