data_[Ce4Y4Ag4Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  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 [Imma]
_cell_length_a [8.2415]
_cell_length_b [8.5222]
_cell_length_c [11.7608]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [74]
_chemical_formula_structural [CeYAgSe4]
_chemical_formula_sum '[Ce4 Y4 Ag4 Se16]'
_cell_volume [826.0333]
_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
[
  Ce  Ce0  4  0.0000  0.0000  0.0000  1
  Y  Y1  4  0.2500  0.2500  0.7500  1
  Ag  Ag2  4  0.0000  0.2500  0.3679  1
  Se  Se3  8  0.0000  0.0154  0.7571  1
  Se  Se4  8  0.2359  0.2500  0.9947  1
]