data_[Ag2Bi2Se6]
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 [P2_1/m]
_cell_length_a [4.2166]
_cell_length_b [8.6085]
_cell_length_c [7.5675]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.0385]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AgBiSe3]
_chemical_formula_sum '[Ag2 Bi2 Se6]'
_cell_volume [264.0013]
_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  2  0.0000  0.0000  0.0000  1.0
  Bi  Bi1  2  0.2548  0.2500  0.5214  1.0
  Se  Se2  4  0.3576  0.6086  0.7504  1.0
  Se  Se3  2  0.0997  0.7500  0.2078  1.0
]