data_[Tb1Cu2H8Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4180]
_cell_length_b [4.5692]
_cell_length_c [5.4878]
_cell_angle_alpha [73.8394]
_cell_angle_beta [86.6370]
_cell_angle_gamma [86.7091]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [TbCu2H8Ir]
_chemical_formula_sum '[Tb1 Cu2 H8 Ir1]'
_cell_volume [106.1216]
_cell_formula_units_Z [1]
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
[
  Tb  Tb0  1  0.0000  0.5000  0.5000  1.0
  Cu  Cu1  2  0.4805  0.0482  0.2714  1.0
  H  H2  2  0.0842  0.0841  0.2749  1.0
  H  H3  2  0.2094  0.6694  0.0673  1.0
  H  H4  2  0.2893  0.2228  0.8540  1.0
  H  H5  2  0.4837  0.7037  0.5581  1.0
  Ir  Ir6  1  0.0000  0.0000  0.0000  1.0
]