data_[Sm8H4Br8]
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
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [20.9839]
_cell_length_b [3.9193]
_cell_length_c [6.8439]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.4666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2HBr2]
_chemical_formula_sum '[Sm8 H4 Br8]'
_cell_volume [560.2997]
_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  0.1817  0.0000  0.8952  1.0
  Sm  Sm1  4  0.1819  0.5000  0.3969  1.0
  H  H2  4  0.2089  0.0000  0.5687  1.0
  Br  Br3  4  0.0889  0.5000  0.6986  1.0
  Br  Br4  4  0.0913  0.0000  0.2022  1.0
]