data_[Sr1Ti1Ag2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [4.5767]
_cell_length_b [7.3175]
_cell_length_c [5.7626]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.8029]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [SrTiAg2F8]
_chemical_formula_sum '[Sr1 Ti1 Ag2 F8]'
_cell_volume [192.5627]
_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
[
  Sr  Sr0  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  0.2461  0.5000  1.0
  F  F3  4  0.1414  0.1939  0.8162  1.0
  F  F4  2  0.3330  0.0000  0.2093  1.0
  F  F5  2  0.4469  0.5000  0.2426  1.0
]