data_[Sm2B4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.3826]
_cell_length_b [5.5854]
_cell_length_c [4.0589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm(BH4)2]
_chemical_formula_sum '[Sm2 B4 H16]'
_cell_volume [201.7608]
_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  2  0.0000  0.0000  0.0000  1.0
  B  B1  4  0.2186  0.0000  0.6808  1.0
  H  H2  8  0.1536  0.1826  0.7283  1.0
  H  H3  4  0.1466  0.5000  0.1357  1.0
  H  H4  4  0.2283  0.0000  0.3845  1.0
]