data_[Sm6Al18Pt12]
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 [16.6300]
_cell_length_b [4.1868]
_cell_length_c [10.0759]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7874]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmAl3Pt2]
_chemical_formula_sum '[Sm6 Al18 Pt12]'
_cell_volume [668.0073]
_cell_formula_units_Z [6]
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  0.1568  0.0000  0.7056  1
  Sm  Sm1  2  0.0000  0.0000  0.0000  1
  Al  Al2  4  0.0426  0.0000  0.3551  1
  Al  Al3  4  0.1292  0.5000  0.2008  1
  Al  Al4  4  0.1736  0.5000  0.9634  1
  Al  Al5  4  0.2149  0.0000  0.3908  1
  Al  Al6  2  0.0000  0.5000  0.5000  1
  Pt  Pt7  4  0.0254  0.5000  0.7796  1
  Pt  Pt8  4  0.1396  0.5000  0.4519  1
  Pt  Pt9  4  0.1972  0.0000  0.1280  1
]