data_[Zr2Ag4F12]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.9772]
_cell_length_b [6.2859]
_cell_length_c [10.0589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.4720]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [ZrAg2F6]
_chemical_formula_sum '[Zr2 Ag4 F12]'
_cell_volume [329.0301]
_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  0.5000  0.0000  0.5000  1.0
  Ag  Ag1  4  0.1930  0.0658  0.7398  1.0
  F  F2  4  0.1845  0.1768  0.4574  1.0
  F  F3  4  0.2505  0.7447  0.8874  1.0
  F  F4  4  0.4641  0.1084  0.2981  1.0
]