data_[Sm4Ag8Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.3944]
_cell_length_b [8.3346]
_cell_length_c [7.6234]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.5226]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [Sm(AgSe)2]
_chemical_formula_sum '[Sm4 Ag8 Se8]'
_cell_volume [477.2314]
_cell_formula_units_Z [4]
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  0.1624  0.2500  1
  Ag  Ag1  4  0.0000  0.5000  0.0000  1
  Ag  Ag2  4  0.2500  0.2500  0.0000  1
  Se  Se3  8  0.2150  0.0984  0.6856  1
]