data_[Sm3Tm6Al3]
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 [R3m]
_cell_length_a [3.5405]
_cell_length_b [3.5405]
_cell_length_c [31.2714]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [SmTm2Al]
_chemical_formula_sum '[Sm3 Tm6 Al3]'
_cell_volume [339.4778]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.4997  1
  Tm  Tm1  3  0.0000  0.0000  0.7387  1
  Tm  Tm2  3  0.0000  0.0000  0.9280  1
  Al  Al3  3  0.0000  0.0000  0.3337  1
]