data_[Ag10Bi2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ag  1.9300  1.6000  1.0867
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3607]
_cell_length_b [11.7689]
_cell_length_c [7.1864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.5291]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ag5BiSe6]
_chemical_formula_sum '[Ag10 Bi2 Se12]'
_cell_volume [566.3576]
_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  0.0000  0.1665  0.5000  1
  Ag  Ag1  4  0.0000  0.3369  0.0000  1
  Ag  Ag2  2  0.0000  0.5000  0.5000  1
  Bi  Bi3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.1872  0.3341  0.7583  1
  Se  Se5  4  0.2103  0.0000  0.7324  1
]