data_[Sm12Si4P2I6]
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
  P  2.1900  1.0000  0.5500
  I  2.6600  1.4000  1.2733
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3763]
_cell_length_b [12.7241]
_cell_length_c [7.9869]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7988]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm6Si2PI3]
_chemical_formula_sum '[Sm12 Si4 P2 I6]'
_cell_volume [713.7487]
_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  0.2296  0.1654  0.1918  1.0
  Sm  Sm1  4  0.2332  0.5000  0.1923  1.0
  Si  Si2  4  0.0000  0.3334  0.0000  1.0
  P  P3  2  0.0000  0.0000  0.0000  1.0
  I  I4  4  0.0000  0.1676  0.5000  1.0
  I  I5  2  0.0000  0.5000  0.5000  1.0
]