data_[Y4U4Ag4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  U  1.3800  1.7500  0.9913
  Ag  1.9300  1.6000  1.0867
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.9950]
_cell_length_b [13.7589]
_cell_length_c [10.4846]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [YUAgSe3]
_chemical_formula_sum '[Y4 U4 Ag4 Se12]'
_cell_volume [576.3055]
_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
[
  Y  Y0  4  0.0000  0.0000  0.0000  1
  U  U1  4  0.0000  0.2274  0.7500  1
  Ag  Ag2  4  0.0000  0.4826  0.2500  1
  Se  Se3  8  0.0000  0.3521  0.0632  1
  Se  Se4  4  0.0000  0.1105  0.2500  1
]