data_[Sm24Pt9Se12Cl3]
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
  Se  2.5500  1.1500  1.0133
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.2227]
_cell_length_b [8.2227]
_cell_length_c [21.3209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Sm8Pt3Se4Cl]
_chemical_formula_sum '[Sm24 Pt9 Se12 Cl3]'
_cell_volume [1248.4259]
_cell_formula_units_Z [3]
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  18  0.0111  0.5056  0.7525  1
  Sm  Sm1  6  0.0000  0.0000  0.2428  1
  Pt  Pt2  9  0.0000  0.5000  0.5000  1
  Se  Se3  9  0.0000  0.5000  0.0000  1
  Se  Se4  3  -0.0000  -0.0000  0.0000  1
  Cl  Cl5  3  0.0000  0.0000  0.5000  1
]