data_[Li4Ag2Bi6Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [17.9320]
_cell_length_b [4.1585]
_cell_length_c [8.1748]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.8479]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ag(BiSe2)3]
_chemical_formula_sum '[Li4 Ag2 Bi6 Se12]'
_cell_volume [596.6055]
_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
[
  Li  Li0  4  0.1674  0.0000  0.3348  1.0
  Ag  Ag1  2  0.0000  0.5000  0.0000  1.0
  Bi  Bi2  4  0.1670  0.0000  0.8344  1.0
  Bi  Bi3  2  0.0000  0.5000  0.5000  1.0
  Se  Se4  4  0.0054  0.0000  0.2433  1.0
  Se  Se5  4  0.1669  0.5000  0.0961  1.0
  Se  Se6  4  0.1693  0.5000  0.5786  1.0
]