data_[Ag3As1F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.4455]
_cell_length_b [5.7969]
_cell_length_c [8.1915]
_cell_angle_alpha [85.9530]
_cell_angle_beta [88.5403]
_cell_angle_gamma [88.4799]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ag3AsF12]
_chemical_formula_sum '[Ag3 As1 F12]'
_cell_volume [257.7728]
_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
[
  Ag  Ag0  1  0.0000  0.0000  0.0000  1.0
  Ag  Ag1  1  0.0000  0.0000  0.5000  1.0
  Ag  Ag2  1  0.5000  0.5000  0.5000  1.0
  As  As3  1  0.5000  0.5000  0.0000  1.0
  F  F4  2  0.0525  0.9902  0.2526  1.0
  F  F5  2  0.1791  0.6630  0.5444  1.0
  F  F6  2  0.2438  0.3652  0.9192  1.0
  F  F7  2  0.3403  0.1949  0.5248  1.0
  F  F8  2  0.3451  0.5074  0.1917  1.0
  F  F9  2  0.3704  0.7784  0.9373  1.0
]