data_[Sm1Tm3Al8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Tm  1.2500  1.7500  1.0950
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.5381]
_cell_length_b [5.5381]
_cell_length_c [9.0780]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [SmTm3Al8]
_chemical_formula_sum '[Sm1 Tm3 Al8]'
_cell_volume [241.1250]
_cell_formula_units_Z [1]
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  1  0.0000  0.0000  0.5678  1
  Tm  Tm1  1  0.0000  0.0000  0.9327  1
  Tm  Tm2  1  0.6667  0.3333  0.0664  1
  Tm  Tm3  1  0.6667  0.3333  0.4309  1
  Al  Al4  3  0.1621  0.3242  0.2479  1
  Al  Al5  3  0.5045  0.0091  0.7529  1
  Al  Al6  1  0.3333  0.6667  0.0013  1
  Al  Al7  1  0.3333  0.6667  0.4986  1
]