data_[Sm14Tl8H2]
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 [16.8430]
_cell_length_b [5.0879]
_cell_length_c [11.1317]
_cell_angle_alpha [90.0000]
_cell_angle_beta [129.4080]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm7Tl4H]
_chemical_formula_sum '[Sm14 Tl8 H2]'
_cell_volume [737.0459]
_cell_formula_units_Z [2]
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  0.0611  0.0000  0.2621  1
  Sm  Sm1  4  0.1349  0.5000  0.5625  1
  Sm  Sm2  4  0.2169  0.0000  0.8570  1
  Sm  Sm3  2  0.0000  0.5000  0.0000  1
  Tl  Tl4  4  0.0786  0.5000  0.7915  1
  Tl  Tl5  4  0.2199  0.5000  0.3610  1
  H  H6  2  0.0000  0.0000  0.0000  1
]