data_[Ca2Cu2Pd2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Cu  1.9000  1.3500  0.8200
  Pd  2.2000  1.4000  0.8462
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.9668]
_cell_length_b [4.9668]
_cell_length_c [10.0733]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [CaCuPdF6]
_chemical_formula_sum '[Ca2 Cu2 Pd2 F12]'
_cell_volume [248.5046]
_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
[
  Ca  Ca0  2  0.0000  0.0000  0.6659  1.0
  Cu  Cu1  2  0.0000  0.0000  0.9981  1.0
  Pd  Pd2  2  0.0000  0.0000  0.3356  1.0
  F  F3  4  0.1834  0.8166  0.1626  1.0
  F  F4  4  0.1974  0.8026  0.8447  1.0
  F  F5  4  0.2137  0.7863  0.4929  1.0
]