data_[Ni2Ag8F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ni  1.9100  1.3500  0.7400
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4/mnc]
_cell_length_a [6.6639]
_cell_length_b [6.6639]
_cell_length_c [7.3139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [128]
_chemical_formula_structural [NiAg4F6]
_chemical_formula_sum '[Ni2 Ag8 F12]'
_cell_volume [324.7957]
_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
[
  Ni  Ni0  2  0.0000  0.0000  0.5000  1
  Ag  Ag1  8  0.1532  0.6532  0.2500  1
  F  F2  8  0.0953  0.2912  0.5000  1
  F  F3  4  0.0000  0.0000  0.2258  1
]