data_[Ag6Sn3Bi3Se12]
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
  Bi  2.0200  1.6000  1.0350
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.1305]
_cell_length_b [4.1305]
_cell_length_c [40.6809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Ag2SnBiSe4]
_chemical_formula_sum '[Ag6 Sn3 Bi3 Se12]'
_cell_volume [601.0665]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.2418  1.0
  Ag  Ag1  3  0.0000  0.0000  0.5067  1.0
  Sn  Sn2  3  0.0000  0.0000  0.7568  1.0
  Bi  Bi3  3  0.0000  0.0000  0.9957  1.0
  Se  Se4  3  0.0000  0.0000  0.1296  1.0
  Se  Se5  3  0.0000  0.0000  0.3746  1.0
  Se  Se6  3  0.0000  0.0000  0.6200  1.0
  Se  Se7  3  0.0000  0.0000  0.8748  1.0
]