data_[Ag10As10]
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 [P6]
_cell_length_a [9.6858]
_cell_length_b [9.6858]
_cell_length_c [21.1589]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [168]
_chemical_formula_structural [AgAs]
_chemical_formula_sum '[Ag10 As10]'
_cell_volume [1719.0763]
_cell_formula_units_Z [10]
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  0.1580  0.5163  0.5753  1
  Ag  Ag1  3  0.0000  0.5000  0.3278  1
  Ag  Ag2  1  0.0000  0.0000  0.6189  1
  As  As3  6  0.0724  0.7300  0.5177  1
  As  As4  3  0.0000  0.5000  0.4456  1
  As  As5  1  0.0000  0.0000  0.5028  1
]