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 [C2/c]
_cell_length_a [6.1891]
_cell_length_b [10.5166]
_cell_length_c [4.1873]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.4037]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [TbMnH4]
_chemical_formula_sum '[Tb4 Mn4 H16]'
_cell_volume [219.3550]
_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  0.1344  0.7500  1
  Mn  Mn1  4  0.0000  0.4189  0.2500  1
  H  H2  8  0.1390  0.2966  0.1720  1
  H  H3  8  0.2217  0.4856  0.7141  1
]