data_[Gd4Y4Ag4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Y  1.2200  1.8000  1.0400
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.0220]
_cell_length_b [13.6691]
_cell_length_c [10.5833]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [GdYAgSe3]
_chemical_formula_sum '[Gd4 Y4 Ag4 Se12]'
_cell_volume [581.8345]
_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
[
  Gd  Gd0  4  0.0000  0.2259  0.7500  1
  Y  Y1  4  0.0000  0.0000  0.0000  1
  Ag  Ag2  4  0.0000  0.4828  0.2500  1
  Se  Se3  8  0.0000  0.3536  0.0649  1
  Se  Se4  4  0.0000  0.1105  0.2500  1
]