data_[Ag11As9]
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
]
_symmetry_space_group_name_H-M [P31m]
_cell_length_a [9.3681]
_cell_length_b [9.3681]
_cell_length_c [19.0636]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [157]
_chemical_formula_structural [Ag11As9]
_chemical_formula_sum '[Ag11 As9]'
_cell_volume [1448.8905]
_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  6  0.1687  0.3390  0.5816  1
  Ag  Ag1  3  0.0000  0.4958  0.5201  1
  Ag  Ag2  2  0.3333  0.6667  0.5319  1
  As  As3  6  0.1612  0.7651  0.4324  1
  As  As4  2  0.3333  0.6667  0.3685  1
  As  As5  1  0.0000  0.0000  0.5546  1
]