data_[Ag2As2Se3]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [3.8223]
_cell_length_b [6.4307]
_cell_length_c [6.8465]
_cell_angle_alpha [75.0679]
_cell_angle_beta [74.3370]
_cell_angle_gamma [89.1050]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ag2As2Se3]
_chemical_formula_sum '[Ag2 As2 Se3]'
_cell_volume [156.3019]
_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  2  0.1960  0.5850  0.1331  1
  As  As1  2  0.3581  0.1512  0.2500  1
  Se  Se2  2  0.2344  0.7317  0.5329  1
  Se  Se3  1  0.0000  0.0000  0.0000  1
]