data_[Zr4Ag6F28]
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 [C2/m]
_cell_length_a [9.5535]
_cell_length_b [6.8414]
_cell_length_c [9.3456]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1838]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Zr2Ag3F14]
_chemical_formula_sum '[Zr4 Ag6 F28]'
_cell_volume [610.6885]
_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  0.0889  0.0000  0.2159  1.0
  Ag  Ag1  4  0.1858  0.5000  0.3956  1.0
  Ag  Ag2  2  0.0000  0.5000  0.0000  1.0
  F  F3  8  0.0597  0.2971  0.1629  1.0
  F  F4  8  0.1688  0.1787  0.3864  1.0
  F  F5  4  0.1137  0.0000  0.7077  1.0
  F  F6  4  0.2280  0.5000  0.8787  1.0
  F  F7  2  0.0000  0.0000  0.0000  1.0
  F  F8  2  0.0000  0.5000  0.5000  1.0
]