data_[In1Ag1B2F8]
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
  B  2.0400  0.8500  0.4100
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.1878]
_cell_length_b [5.1878]
_cell_length_c [8.2500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [InAgB2F8]
_chemical_formula_sum '[In1 Ag1 B2 F8]'
_cell_volume [192.2862]
_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
[
  In  In0  1  0.0000  0.0000  0.0000  1
  Ag  Ag1  1  0.0000  0.0000  0.5000  1
  B  B2  2  0.3333  0.6667  0.7542  1
  F  F3  6  0.0834  0.4000  0.6989  1
  F  F4  2  0.3333  0.6667  0.9269  1
]