data_[In2Ag6F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Ag  1.9300  1.6000  1.0867
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.0534]
_cell_length_b [6.1438]
_cell_length_c [10.5276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4571]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [InAg3F6]
_chemical_formula_sum '[In2 Ag6 F12]'
_cell_volume [322.8358]
_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
[
  In  In0  2  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  4  0.2708  0.0580  0.7559  1.0
  Ag  Ag2  2  0.5000  0.0000  0.5000  1.0
  F  F3  4  0.0994  0.0676  0.2249  1.0
  F  F4  4  0.2364  0.7144  0.0775  1.0
  F  F5  4  0.3476  0.1723  0.0576  1.0
]