data_[Sm3Fe1Si2Pt9]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Fe  1.8300  1.4000  0.8525
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.3930]
_cell_length_b [6.3930]
_cell_length_c [8.8279]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Sm3FeSi2Pt9]
_chemical_formula_sum '[Sm3 Fe1 Si2 Pt9]'
_cell_volume [312.4623]
_cell_formula_units_Z [1]
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  0.3333  0.6667  0.7035  1
  Sm  Sm1  1  0.0000  0.0000  0.0000  1
  Fe  Fe2  1  0.0000  0.0000  0.5000  1
  Si  Si3  2  0.3333  0.6667  0.1852  1
  Pt  Pt4  6  0.1425  0.2851  0.2784  1
  Pt  Pt5  3  0.0000  0.5000  0.0000  1
]