data_[Ba1Ti1Ag2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Ti  1.5400  1.4000  0.8517
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [4.6373]
_cell_length_b [7.6904]
_cell_length_c [5.6925]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.3805]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [BaTiAg2F8]
_chemical_formula_sum '[Ba1 Ti1 Ag2 F8]'
_cell_volume [202.4175]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.0000  1.0
  Ti  Ti1  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag2  2  0.5000  0.2466  0.5000  1.0
  F  F3  4  0.1487  0.1823  0.8164  1.0
  F  F4  2  0.3259  0.0000  0.2210  1.0
  F  F5  2  0.4993  0.5000  0.7484  1.0
]