data_[Cs4Zr2Pd4Se8]
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
  Pd  2.2000  1.4000  0.8462
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.1398]
_cell_length_b [4.0365]
_cell_length_c [8.5252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.1432]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Zr(PdSe2)2]
_chemical_formula_sum '[Cs4 Zr2 Pd4 Se8]'
_cell_volume [497.8383]
_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
[
  Cs  Cs0  4  0.1357  0.0000  0.5714  1
  Zr  Zr1  2  0.0000  0.0000  0.0000  1
  Pd  Pd2  4  0.1823  0.5000  0.9933  1
  Se  Se3  4  0.0132  0.5000  0.7852  1
  Se  Se4  4  0.1864  0.0000  0.1688  1
]