data_[Ba2Cu4Ag2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.8063]
_cell_length_b [5.8063]
_cell_length_c [10.2687]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [BaCu2AgF8]
_chemical_formula_sum '[Ba2 Cu4 Ag2 F16]'
_cell_volume [346.1944]
_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  0.5000  0.7500  1.0
  Cu  Cu1  2  0.0000  0.0000  0.5000  1.0
  Cu  Cu2  2  0.0000  0.5000  0.2500  1.0
  Ag  Ag3  2  0.0000  0.0000  0.0000  1.0
  F  F4  8  0.0776  0.8031  0.2344  1.0
  F  F5  8  0.1492  0.2881  0.5184  1.0
]