data_[Tm4H12Ru4]
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
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [11.3258]
_cell_length_b [3.6207]
_cell_length_c [4.7639]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1745]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TmH3Ru]
_chemical_formula_sum '[Tm4 H12 Ru4]'
_cell_volume [195.3556]
_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  2  0.0676  0.0000  0.4598  1
  Tm  Tm1  2  0.3010  0.5000  0.9716  1
  H  H2  2  0.0182  0.0000  0.9654  1
  Ru  Ru3  2  0.0270  0.5000  0.9565  1
  H  H4  2  0.1301  0.5000  0.2125  1
  H  H5  2  0.1350  0.5000  0.7077  1
  H  H6  2  0.2453  0.0000  0.2139  1
  H  H7  2  0.3436  0.5000  0.4659  1
  Ru  Ru8  2  0.3546  0.0000  0.4565  1
  H  H9  2  0.3821  0.0000  0.8144  1
]