data_[Sm6Si10Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Si  1.9000  1.1000  0.5400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.0856]
_cell_length_b [12.4345]
_cell_length_c [10.0343]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sm3Si5Pt6]
_chemical_formula_sum '[Sm6 Si10 Pt12]'
_cell_volume [509.7650]
_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  4  0.0000  0.3427  0.7524  1
  Sm  Sm1  2  0.0000  0.0000  0.7409  1
  Si  Si2  4  0.0000  0.1181  0.4776  1
  Si  Si3  4  0.0000  0.3277  0.1484  1
  Si  Si4  2  0.0000  0.0000  0.1230  1
  Pt  Pt5  4  0.0000  0.1686  0.9886  1
  Pt  Pt6  4  0.0000  0.3011  0.3878  1
  Pt  Pt7  2  0.0000  0.5000  0.0186  1
  Pt  Pt8  2  0.0000  0.5000  0.5122  1
]