data_[Ag10Sn2Se10]
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 [12.5816]
_cell_length_b [5.5337]
_cell_length_c [7.7920]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag5SnSe5]
_chemical_formula_sum '[Ag10 Sn2 Se10]'
_cell_volume [516.7126]
_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  0.1558  0.5000  0.3393  1.0
  Ag  Ag1  4  0.1664  0.5000  0.8280  1.0
  Ag  Ag2  2  0.0000  0.0000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.0000  0.0000  1.0
  Se  Se4  4  0.1543  0.0000  0.8121  1.0
  Se  Se5  4  0.1687  0.0000  0.3392  1.0
  Se  Se6  2  0.0000  0.5000  0.0000  1.0
]