data_[Sm12As2Pt4I6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.4644]
_cell_length_b [12.8947]
_cell_length_c [8.1518]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7351]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6AsPt2I3]
_chemical_formula_sum '[Sm12 As2 Pt4 I6]'
_cell_volume [747.3341]
_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  8  0.2370  0.1734  0.1886  1
  Sm  Sm1  4  0.2161  0.5000  0.1883  1
  As  As2  2  0.0000  0.0000  0.0000  1
  Pt  Pt3  4  0.0000  0.3330  0.0000  1
  I  I4  4  0.0000  0.1620  0.5000  1
  I  I5  2  0.0000  0.5000  0.5000  1
]