data_[Ag60As4]
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 [Pccm]
_cell_length_a [8.1737]
_cell_length_b [43.4891]
_cell_length_c [4.0444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [49]
_chemical_formula_structural [Ag15As]
_chemical_formula_sum '[Ag60 As4]'
_cell_volume [1437.6426]
_cell_formula_units_Z [4]
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  4  0.1236  0.2182  0.5000  1
  Ag  Ag1  4  0.1241  0.2676  0.0000  1
  Ag  Ag2  4  0.1242  0.0242  0.5000  1
  Ag  Ag3  4  0.1249  0.0723  0.0000  1
  Ag  Ag4  4  0.1250  0.1692  0.0000  1
  Ag  Ag5  4  0.1254  0.1207  0.5000  1
  Ag  Ag6  4  0.1264  0.3173  0.5000  1
  Ag  Ag7  4  0.1266  0.3661  0.0000  1
  Ag  Ag8  4  0.3738  0.2182  0.0000  1
  Ag  Ag9  4  0.3745  0.0241  0.0000  1
  Ag  Ag10  4  0.3747  0.2668  0.5000  1
  Ag  Ag11  4  0.3753  0.1694  0.5000  1
  Ag  Ag12  4  0.3753  0.0723  0.5000  1
  Ag  Ag13  4  0.3755  0.1209  0.0000  1
  Ag  Ag14  4  0.3776  0.3166  0.0000  1
  As  As15  4  0.3855  0.3654  0.5000  1
]