data_[Ag4Bi4Se8]
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 [Pnma]
_cell_length_a [7.8490]
_cell_length_b [4.1086]
_cell_length_c [13.2098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [AgBiSe2]
_chemical_formula_sum '[Ag4 Bi4 Se8]'
_cell_volume [425.9973]
_cell_formula_units_Z [4]
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  0.0921  0.2500  0.4237  1.0
  Bi  Bi1  4  0.0583  0.7500  0.1490  1.0
  Se  Se2  4  0.1041  0.7500  0.7357  1.0
  Se  Se3  4  0.2088  0.2500  0.9906  1.0
]