data_[Sr4Yb4Ag4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Yb  1.1000  1.7500  1.0840
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.2466]
_cell_length_b [4.2070]
_cell_length_c [8.9551]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.3795]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrYbAgSe3]
_chemical_formula_sum '[Sr4 Yb4 Ag4 Se12]'
_cell_volume [626.4817]
_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
[
  Sr  Sr0  4  0.1397  0.0000  0.0697  1
  Yb  Yb1  4  0.1677  0.0000  0.5887  1
  Ag  Ag2  4  0.0038  0.5000  0.7040  1
  Se  Se3  4  0.1575  0.5000  0.3485  1
  Se  Se4  4  0.1663  0.5000  0.8201  1
  Se  Se5  2  0.0000  0.0000  0.5000  1
  Se  Se6  2  0.0000  0.5000  0.0000  1
]