data_[Sm2B6Rh12]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.7142]
_cell_length_b [5.5863]
_cell_length_c [5.5341]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.7489]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Sm(BRh2)3]
_chemical_formula_sum '[Sm2 B6 Rh12]'
_cell_volume [282.6480]
_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  0.0245  0.0000  0.0853  1
  B  B1  2  0.1861  0.5000  0.0426  1
  B  B2  2  0.2982  0.5000  0.5732  1
  B  B3  2  0.3612  0.0000  0.0251  1
  Rh  Rh4  4  0.2227  0.2512  0.7748  1
  Rh  Rh5  4  0.3233  0.2431  0.3200  1
  Rh  Rh6  2  0.0703  0.5000  0.3167  1
  Rh  Rh7  2  0.4743  0.0000  0.7678  1
]