data_[Sm8Tl4H12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tl  1.6200  1.9000  1.3325
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8166]
_cell_length_b [3.7902]
_cell_length_c [7.9057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.1231]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2TlH3]
_chemical_formula_sum '[Sm8 Tl4 H12]'
_cell_volume [411.2777]
_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
[
  Sm  Sm0  4  0.0311  0.5000  0.2846  1
  Sm  Sm1  4  0.1989  0.0000  0.6697  1
  Tl  Tl2  4  0.1245  0.0000  0.0296  1
  H  H3  4  0.0689  0.0000  0.4244  1
  H  H4  4  0.0951  0.5000  0.6183  1
  H  H5  4  0.1936  0.5000  0.4809  1
]