data_[Sm12Pt4Pb2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Pt  2.2800  1.3500  0.8050
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.0914]
_cell_length_b [4.1359]
_cell_length_c [8.7257]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5441]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Pt2PbSe3]
_chemical_formula_sum '[Sm12 Pt4 Pb2 Se6]'
_cell_volume [653.2085]
_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  0.0006  0.0000  0.7319  1.0
  Sm  Sm1  4  0.1741  0.5000  0.0909  1.0
  Sm  Sm2  4  0.1749  0.5000  0.5640  1.0
  Pt  Pt3  4  0.1626  0.0000  0.3208  1.0
  Pb  Pb4  2  0.0000  0.5000  0.0000  1.0
  Se  Se5  4  0.1640  0.0000  0.8261  1.0
  Se  Se6  2  0.0000  0.5000  0.5000  1.0
]