data_[Sm8H2Br10]
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 [17.7084]
_cell_length_b [3.8420]
_cell_length_c [8.4793]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.4648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm4HBr5]
_chemical_formula_sum '[Sm8 H2 Br10]'
_cell_volume [561.0409]
_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  0.0017  0.0000  0.7871  1
  Sm  Sm1  4  0.1414  0.5000  0.0750  1
  H  H2  2  0.0000  0.5000  0.0000  1
  Br  Br3  4  0.1664  0.0000  0.3465  1
  Br  Br4  4  0.1763  0.0000  0.8287  1
  Br  Br5  2  0.0000  0.5000  0.5000  1
]