data_[Sm10Tm2Al4]
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 [P6_3/mmc]
_cell_length_a [5.3667]
_cell_length_b [5.3667]
_cell_length_c [19.8739]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Sm5TmAl2]
_chemical_formula_sum '[Sm10 Tm2 Al4]'
_cell_volume [495.7189]
_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  4  0.0000  0.0000  0.1559  1
  Sm  Sm1  4  0.3333  0.6667  0.5550  1
  Sm  Sm2  2  0.3333  0.6667  0.7500  1
  Tm  Tm3  2  0.3333  0.6667  0.2500  1
  Al  Al4  4  0.3333  0.6667  0.1018  1
]