data_[La8Ag4Bi4Se20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  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 [Cmc2_1]
_cell_length_a [4.3070]
_cell_length_b [18.4981]
_cell_length_c [12.3908]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [La2AgBiSe5]
_chemical_formula_sum '[La8 Ag4 Bi4 Se20]'
_cell_volume [987.2026]
_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
[
  La  La0  4  0.0000  0.1188  0.2997  1.0
  La  La1  4  0.0000  0.1298  0.6780  1.0
  Ag  Ag2  4  0.0000  0.2327  0.0354  1.0
  Bi  Bi3  4  0.0000  0.4108  0.4758  1.0
  Se  Se4  4  0.0000  0.0266  0.0874  1.0
  Se  Se5  4  0.0000  0.2940  0.3201  1.0
  Se  Se6  4  0.0000  0.3040  0.6601  1.0
  Se  Se7  4  0.0000  0.3689  0.9887  1.0
  Se  Se8  4  0.0000  0.4876  0.2788  1.0
]