data_[Tm12Si4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Si  1.9000  1.1000  0.5400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.3494]
_cell_length_b [6.1527]
_cell_length_c [10.3639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [96.6413]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Tm3SiH]
_chemical_formula_sum '[Tm12 Si4 H4]'
_cell_volume [402.1602]
_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
[
  Tm  Tm0  4  0.0735  0.0685  0.6621  1
  Tm  Tm1  4  0.2179  0.5519  0.5866  1
  Tm  Tm2  4  0.3885  0.1610  0.3842  1
  Si  Si3  4  0.3688  0.6855  0.3426  1
  H  H4  4  0.0797  0.2410  0.4733  1
]