data_[Ag4Sn6Se16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.1276]
_cell_length_b [7.6982]
_cell_length_c [7.0249]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.5551]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag2Sn3Se8]
_chemical_formula_sum '[Ag4 Sn6 Se16]'
_cell_volume [700.0767]
_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  4  0.2148  0.5000  0.5666  1
  Sn  Sn1  4  0.0000  0.2530  0.0000  1
  Sn  Sn2  2  0.0000  0.0000  0.5000  1
  Se  Se3  8  0.1299  0.2317  0.3581  1
  Se  Se4  4  0.1184  0.0000  0.8596  1
  Se  Se5  4  0.1203  0.5000  0.8877  1
]