data_[Sm8Hg4H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Hg  2.0000  1.5000  1.2450
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8851]
_cell_length_b [6.8145]
_cell_length_c [7.8739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.9546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Sm2HgH]
_chemical_formula_sum '[Sm8 Hg4 H4]'
_cell_volume [367.4426]
_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  0.2023  0.6584  0.5057  1
  Sm  Sm1  4  0.3809  0.1480  0.6742  1
  Hg  Hg2  4  0.0792  0.0582  0.3279  1
  H  H3  4  0.4706  0.6644  0.0852  1
]