data_[Sm2Al2Si4]
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
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.1572]
_cell_length_b [4.1572]
_cell_length_c [10.8830]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [SmAlSi2]
_chemical_formula_sum '[Sm2 Al2 Si4]'
_cell_volume [162.8841]
_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  2  0.0000  0.0000  0.1806  1.0
  Al  Al1  2  0.3333  0.6667  0.4137  1.0
  Si  Si2  2  0.3333  0.6667  0.0065  1.0
  Si  Si3  2  0.3333  0.6667  0.6482  1.0
]