data_[Sm2Al22Pt2]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.2349]
_cell_length_b [12.6402]
_cell_length_c [7.2841]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.5448]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmAl11Pt]
_chemical_formula_sum '[Sm2 Al22 Pt2]'
_cell_volume [454.2185]
_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  0.0000  1
  Al  Al1  8  0.1082  0.6092  0.2242  1
  Al  Al2  8  0.1731  0.1764  0.3566  1
  Al  Al3  4  0.2500  0.2500  0.0000  1
  Al  Al4  2  0.0000  0.0000  0.5000  1
  Pt  Pt5  2  0.0000  0.5000  0.5000  1
]