data_[Ba2Sm2Ag2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2_1/m]
_cell_length_a [8.8532]
_cell_length_b [4.3134]
_cell_length_c [9.5985]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3148]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaSmAgSe3]
_chemical_formula_sum '[Ba2 Sm2 Ag2 Se6]'
_cell_volume [353.5276]
_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
[
  Ba  Ba0  2  0.2008  0.2500  0.2445  1.0
  Sm  Sm1  2  0.3224  0.7500  0.8381  1.0
  Ag  Ag2  2  0.0876  0.2500  0.5889  1.0
  Se  Se3  2  0.1042  0.2500  0.8714  1.0
  Se  Se4  2  0.2444  0.7500  0.5215  1.0
  Se  Se5  2  0.4468  0.7500  0.1570  1.0
]