data_[Tb4Mn4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Mn  1.5500  1.4000  0.6483
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.5563]
_cell_length_b [11.6784]
_cell_length_c [4.7610]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [TbMnH4]
_chemical_formula_sum '[Tb4 Mn4 H16]'
_cell_volume [197.7343]
_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  0.3662  0.7801  1.0
  Mn  Mn1  4  0.0000  0.0907  0.7846  1.0
  H  H2  4  0.0000  0.0327  0.1078  1.0
  H  H3  4  0.0000  0.1872  0.5406  1.0
  H  H4  4  0.0000  0.1959  0.0053  1.0
  H  H5  4  0.0000  0.4158  0.2806  1.0
]