data_[Zr4Ag2Pd2F22]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [9.5676]
_cell_length_b [7.1010]
_cell_length_c [7.9653]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.7845]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2AgPdF11]
_chemical_formula_sum '[Zr4 Ag2 Pd2 F22]'
_cell_volume [487.2800]
_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
[
  Zr  Zr0  4  0.0074  0.5000  0.2372  1.0
  Ag  Ag1  2  0.0000  0.0000  0.0000  1.0
  Pd  Pd2  2  0.0000  0.0000  0.5000  1.0
  F  F3  8  0.0170  0.2153  0.3080  1.0
  F  F4  4  0.0000  0.3370  0.0000  1.0
  F  F5  4  0.2227  0.5000  0.8872  1.0
  F  F6  4  0.2449  0.5000  0.3475  1.0
  F  F7  2  0.0000  0.5000  0.5000  1.0
]