data_[Cs4Zr4Cd4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.7817]
_cell_length_b [4.1049]
_cell_length_c [16.2849]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsZrCdSe3]
_chemical_formula_sum '[Cs4 Zr4 Cd4 Se12]'
_cell_volume [720.7341]
_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  0.2494  0.2500  0.5013  1
  Zr  Zr1  4  0.0063  0.7500  0.7496  1
  Cd  Cd2  4  0.2447  0.7500  0.2904  1
  Se  Se3  4  0.0314  0.7500  0.3662  1
  Se  Se4  4  0.0411  0.2500  0.8656  1
  Se  Se5  4  0.2438  0.2500  0.1859  1
]