data_[Ce4Y6Se16]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7477]
_cell_length_b [8.2090]
_cell_length_c [6.9786]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1414]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ce2Y3Se8]
_chemical_formula_sum '[Ce4 Y6 Se16]'
_cell_volume [798.1446]
_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
[
  Ce  Ce0  4  0.2409  0.5000  0.6698  1.0
  Y  Y1  4  0.0000  0.2599  0.0000  1.0
  Y  Y2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.1236  0.2347  0.4126  1.0
  Se  Se4  4  0.1116  0.5000  0.8946  1.0
  Se  Se5  4  0.1163  0.0000  0.9206  1.0
]