data_[Tm6Tl4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.9637]
_cell_length_b [15.8895]
_cell_length_c [3.6184]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Tm3(TlH)2]
_chemical_formula_sum '[Tm6 Tl4 H4]'
_cell_volume [285.3869]
_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  0.3872  0.5000  1.0
  Tm  Tm1  2  0.0000  0.0000  0.0000  1.0
  Tl  Tl2  4  0.0000  0.1919  0.0000  1.0
  H  H3  4  0.2494  0.5000  0.5000  1.0
]