data_[Tm3Al3Co6H18]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.1702]
_cell_length_b [4.1702]
_cell_length_c [15.3903]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [TmAl(CoH3)2]
_chemical_formula_sum '[Tm3 Al3 Co6 H18]'
_cell_volume [231.7880]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0000  1.0
  Al  Al1  3  -0.0000  -0.0000  0.5000  1.0
  Co  Co2  6  0.0000  0.0000  0.2107  1.0
  H  H3  18  0.0018  0.5009  0.0626  1.0
]