data_[Sm4B12W4]
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
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [6.5264]
_cell_length_b [12.0303]
_cell_length_c [3.2849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [SmB3W]
_chemical_formula_sum '[Sm4 B12 W4]'
_cell_volume [257.9185]
_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  2  0.0000  0.0000  0.5000  1
  Sm  Sm1  2  0.0000  0.5000  0.5000  1
  B  B2  8  0.2363  0.3767  0.0000  1
  B  B3  4  0.0000  0.3130  0.0000  1
  W  W4  4  0.2500  0.2500  0.5000  1
]