data_[Tm2H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P6mm]
_cell_length_a [6.1791]
_cell_length_b [6.1791]
_cell_length_c [17.8159]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [183]
_chemical_formula_structural [TmH3]
_chemical_formula_sum '[Tm2 H6]'
_cell_volume [589.0909]
_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  2  0.3333  0.6667  0.4916  1
  H  H1  3  0.0000  0.5000  0.4417  1
  H  H2  2  0.3333  0.6667  0.5997  1
  H  H3  1  0.0000  0.0000  0.4923  1
]