data_[Ba2Cu2Pd2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2]
_cell_length_a [5.8432]
_cell_length_b [9.5096]
_cell_length_c [5.5770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.2946]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaCuPdF6]
_chemical_formula_sum '[Ba2 Cu2 Pd2 F12]'
_cell_volume [309.3853]
_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
[
  Ba  Ba0  2  0.0000  0.9878  0.5000  1.0
  Cu  Cu1  2  0.0000  0.6680  0.0000  1.0
  Pd  Pd2  2  0.0000  0.3280  0.0000  1.0
  F  F3  4  0.1308  0.5129  0.1985  1.0
  F  F4  4  0.1737  0.8119  0.1861  1.0
  F  F5  4  0.1770  0.1835  0.2400  1.0
]