data_[Gd10Ag2Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [8.7588]
_cell_length_b [8.7588]
_cell_length_c [8.8554]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [Gd5AgSe8]
_chemical_formula_sum '[Gd10 Ag2 Se16]'
_cell_volume [679.3526]
_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
[
  Gd  Gd0  8  0.1312  0.7527  0.1199  1.0
  Gd  Gd1  2  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  2  0.0000  0.5000  0.7500  1.0
  Se  Se3  8  0.0699  0.8191  0.7992  1.0
  Se  Se4  8  0.0746  0.6830  0.4350  1.0
]