data_[Cs4Ce4Cd4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ce  1.1200  1.8500  1.0800
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4467]
_cell_length_b [16.1870]
_cell_length_c [11.5632]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [CsCeCdSe3]
_chemical_formula_sum '[Cs4 Ce4 Cd4 Se12]'
_cell_volume [832.3087]
_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
[
  Cs  Cs0  4  0.0000  0.2576  0.7500  1.0
  Ce  Ce1  4  0.0000  0.0000  0.0000  1.0
  Cd  Cd2  4  0.0000  0.4607  0.2500  1.0
  Se  Se3  8  0.0000  0.3796  0.0526  1.0
  Se  Se4  4  0.0000  0.0597  0.2500  1.0
]