data_[Yb2Ag2Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [Pmc2_1]
_cell_length_a [18.6975]
_cell_length_b [5.8755]
_cell_length_c [8.3555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [26]
_chemical_formula_structural [YbAgSe3]
_chemical_formula_sum '[Yb2 Ag2 Se6]'
_cell_volume [917.9200]
_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
[
  Yb  Yb0  2  0.5000  0.3421  0.8267  1
  Ag  Ag1  2  0.5000  0.1782  0.4743  1
  Se  Se2  4  0.4011  0.4889  0.5783  1
  Se  Se3  2  0.5000  0.1807  0.1586  1
]