data_[Tm4Cu4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6264]
_cell_length_b [12.7702]
_cell_length_c [4.4359]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TmCuH4]
_chemical_formula_sum '[Tm4 Cu4 H16]'
_cell_volume [205.4282]
_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  0.0000  0.1559  0.3230  1.0
  Cu  Cu1  4  0.0000  0.4391  0.3387  1.0
  H  H2  4  0.0000  0.0754  0.8511  1.0
  H  H3  4  0.0000  0.2683  0.9825  1.0
  H  H4  4  0.0000  0.3264  0.5446  1.0
  H  H5  4  0.0000  0.4363  0.9591  1.0
]