data_[Sm12Al86W8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Al  1.6100  1.2500  0.6750
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [11.0604]
_cell_length_b [11.0604]
_cell_length_c [17.8746]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Sm6Al43W4]
_chemical_formula_sum '[Sm12 Al86 W8]'
_cell_volume [1893.6809]
_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  12  0.0000  0.4693  0.0954  1
  Al  Al1  24  0.1582  0.3941  0.6645  1
  Al  Al2  12  0.0000  0.1602  0.1143  1
  Al  Al3  12  0.0000  0.2529  0.5306  1
  Al  Al4  12  0.1474  0.5514  0.2500  1
  Al  Al5  12  0.2469  0.4939  0.0000  1
  Al  Al6  8  0.3333  0.6667  0.1261  1
  Al  Al7  6  0.0000  0.1483  0.7500  1
  W  W8  6  0.0000  0.2688  0.2500  1
  W  W9  2  0.0000  0.0000  0.0000  1
]