data_[Sm2Lu2Al2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Lu  1.2700  1.7500  1.0010
  Al  1.6100  1.2500  0.6750
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.4497]
_cell_length_b [3.4497]
_cell_length_c [13.3628]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [SmLuAl]
_chemical_formula_sum '[Sm2 Lu2 Al2]'
_cell_volume [159.0201]
_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  0.6008  1.0
  Lu  Lu1  2  0.0000  0.0000  0.3036  1.0
  Al  Al2  2  0.0000  0.0000  0.9456  1.0
]