data_[Ag8As2Se10]
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 [I4]
_cell_length_a [8.8006]
_cell_length_b [8.8006]
_cell_length_c [5.5508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [79]
_chemical_formula_structural [Ag4AsSe5]
_chemical_formula_sum '[Ag8 As2 Se10]'
_cell_volume [429.9121]
_cell_formula_units_Z [2]
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  8  0.1043  0.7054  0.4949  1.0
  As  As1  2  0.0000  0.0000  0.9885  1.0
  Se  Se2  8  0.0846  0.7065  0.9968  1.0
  Se  Se3  2  0.0000  0.0000  0.5344  1.0
]