data_[Tb16Sm16H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Sm  1.1700  1.8500  1.2290
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.8845]
_cell_length_b [14.8541]
_cell_length_c [8.8296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8557]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [TbSmH]
_chemical_formula_sum '[Tb16 Sm16 H16]'
_cell_volume [1076.5907]
_cell_formula_units_Z [16]
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  0.3055  0.8592  0.9665  1
  Tb  Tb1  4  0.3224  0.6198  0.9821  1
  Tb  Tb2  4  0.4363  0.2489  0.7321  1
  Tb  Tb3  2  0.2117  0.0000  0.2195  1
  Tb  Tb4  2  0.4449  0.0000  0.7409  1
  Sm  Sm5  4  0.0645  0.8806  0.4606  1
  Sm  Sm6  4  0.0650  0.3624  0.4910  1
  Sm  Sm7  4  0.1856  0.7439  0.2300  1
  Sm  Sm8  2  0.1388  0.5000  0.2226  1
  Sm  Sm9  2  0.4275  0.5000  0.7177  1
  H  H10  4  0.1989  0.2613  0.7528  1
  H  H11  4  0.3132  0.1230  0.7249  1
  H  H12  4  0.4154  0.9307  0.2226  1
  H  H13  2  0.1979  0.5000  0.7564  1
  H  H14  2  0.4658  0.5000  0.2174  1
]