data_[Sm4Si4Se14]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.4802]
_cell_length_b [11.3382]
_cell_length_c [6.1892]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.3879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sm2Si2Se7]
_chemical_formula_sum '[Sm4 Si4 Se14]'
_cell_volume [652.1669]
_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  0.2948  0.0000  1
  Si  Si1  4  0.2288  0.0000  0.4165  1
  Se  Se2  8  0.2464  0.3294  0.7703  1
  Se  Se3  4  0.0998  0.5000  0.2685  1
  Se  Se4  2  0.0000  0.0000  0.5000  1
]