data_[Tm4Tc2H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tc  1.9000  1.3500  0.7417
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.3870]
_cell_length_b [4.2270]
_cell_length_c [12.7563]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Tm2TcH8]
_chemical_formula_sum '[Tm4 Tc2 H16]'
_cell_volume [182.6300]
_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
[
  Tm  Tm0  4  0.0000  0.5000  0.1457  1
  Tc  Tc1  2  0.0000  0.5000  0.5000  1
  H  H2  8  0.0000  0.2735  0.6145  1
  H  H3  4  0.0000  0.0000  0.2395  1
  H  H4  4  0.0000  0.2219  0.0000  1
]