data_[Tb4Ni4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Ni  1.9100  1.3500  0.7400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6359]
_cell_length_b [11.4116]
_cell_length_c [4.6905]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [TbNiH4]
_chemical_formula_sum '[Tb4 Ni4 H16]'
_cell_volume [194.6175]
_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
[
  Tb  Tb0  4  0.0000  0.1287  0.2500  1
  Ni  Ni1  4  0.0000  0.4079  0.2500  1
  H  H2  8  0.0000  0.3105  0.5024  1
  H  H3  4  0.0000  0.0818  0.7500  1
  H  H4  4  0.0000  0.5000  0.0000  1
]