data_[Sm12B28W4]
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 [Cmcm]
_cell_length_a [3.5290]
_cell_length_b [16.3805]
_cell_length_c [9.6265]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sm3B7W]
_chemical_formula_sum '[Sm12 B28 W4]'
_cell_volume [556.4725]
_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  8  0.0000  0.1061  0.0618  1
  Sm  Sm1  4  0.0000  0.2440  0.7500  1
  B  B2  8  0.0000  0.2732  0.0318  1
  B  B3  8  0.0000  0.3651  0.1479  1
  B  B4  8  0.0000  0.4783  0.0935  1
  B  B5  4  0.0000  0.4620  0.7500  1
  W  W6  4  0.0000  0.0551  0.7500  1
]