data_[La4Ag6Sn2Se12]
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
  Sn  1.9600  1.4500  0.8300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [17.8498]
_cell_length_b [4.2950]
_cell_length_c [8.0391]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.2990]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Ag3SnSe6]
_chemical_formula_sum '[La4 Ag6 Sn2 Se12]'
_cell_volume [611.3308]
_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
[
  La  La0  4  0.1653  0.0000  0.3208  1.0
  Ag  Ag1  4  0.1760  0.0000  0.8160  1.0
  Ag  Ag2  2  0.0000  0.5000  0.5000  1.0
  Sn  Sn3  2  0.0000  0.5000  0.0000  1.0
  Se  Se4  4  0.0061  0.0000  0.7493  1.0
  Se  Se5  4  0.1648  0.5000  0.0615  1.0
  Se  Se6  4  0.1651  0.5000  0.5811  1.0
]