data_[Sm1H2I4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  H  2.2000  0.2500  0.0000
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.4667]
_cell_length_b [7.5884]
_cell_length_c [8.6414]
_cell_angle_alpha [81.8835]
_cell_angle_beta [88.5212]
_cell_angle_gamma [89.0886]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sm(HI2)2]
_chemical_formula_sum '[Sm1 H2 I4]'
_cell_volume [289.8495]
_cell_formula_units_Z [1]
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  1  0.5000  0.0000  0.0000  1
  H  H1  2  0.0052  0.5060  0.4560  1
  I  I2  2  0.0142  0.9327  0.7647  1
  I  I3  2  0.4913  0.3956  0.8513  1
]