data_[Zr2Pd6F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  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 [5.6475]
_cell_length_b [9.1592]
_cell_length_c [6.9039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.5896]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrPd3F6]
_chemical_formula_sum '[Zr2 Pd6 F12]'
_cell_volume [332.0588]
_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  2  0.0000  0.0000  0.0000  1
  Pd  Pd1  4  0.2500  0.2500  0.5000  1
  Pd  Pd2  2  0.0000  0.0000  0.5000  1
  F  F3  8  0.2080  0.1602  0.1969  1
  F  F4  4  0.2273  0.0000  0.8258  1
]