data_[Ba2Ni2Ag2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [C2]
_cell_length_a [5.8339]
_cell_length_b [9.5514]
_cell_length_c [5.5801]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.8865]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaNiAgF6]
_chemical_formula_sum '[Ba2 Ni2 Ag2 F12]'
_cell_volume [310.7645]
_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
[
  Ba  Ba0  2  0.0000  0.9949  0.5000  1.0
  Ni  Ni1  2  0.0000  0.3270  0.0000  1.0
  Ag  Ag2  2  0.0000  0.6636  0.0000  1.0
  F  F3  4  0.1302  0.4879  0.2079  1.0
  F  F4  4  0.1471  0.1940  0.2322  1.0
  F  F5  4  0.1983  0.8225  0.1863  1.0
]