data_[Ca2Ag4Pd2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  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 [11.5433]
_cell_length_b [6.0291]
_cell_length_c [4.7851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.8427]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [CaAg2PdF6]
_chemical_formula_sum '[Ca2 Ag4 Pd2 F12]'
_cell_volume [318.7368]
_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  0.5000  0.0000  1.0
  Ag  Ag1  4  0.2137  0.0000  0.2181  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  F  F3  8  0.0860  0.2246  0.7938  1.0
  F  F4  4  0.1822  0.5000  0.3114  1.0
]