data_[Cs8Pd12F40]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.8862]
_cell_length_b [6.4566]
_cell_length_c [8.8944]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.3499]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Cs2Pd3F10]
_chemical_formula_sum '[Cs8 Pd12 F40]'
_cell_volume [1063.6430]
_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  0.1177  0.5000  0.7263  1
  Cs  Cs1  4  0.2126  0.5000  0.3129  1
  Pd  Pd2  4  0.0000  0.2440  0.0000  1
  Pd  Pd3  4  0.0732  0.0000  0.4747  1
  Pd  Pd4  4  0.1801  0.0000  0.0069  1
  F  F5  8  0.1062  0.2361  0.0143  1
  F  F6  8  0.1407  0.2152  0.4680  1
  F  F7  4  0.0000  0.2109  0.5000  1
  F  F8  4  0.0213  0.5000  0.1593  1
  F  F9  4  0.0232  0.0000  0.1735  1
  F  F10  4  0.1362  0.0000  0.7662  1
  F  F11  4  0.2259  0.0000  0.2445  1
  F  F12  4  0.2500  0.2500  0.0000  1
]