data_[La4Tl2Ag6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Tl  1.6200  1.9000  1.3325
  Ag  1.9300  1.6000  1.0867
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [4.1358]
_cell_length_b [4.3570]
_cell_length_c [18.3618]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [La2TlAg3]
_chemical_formula_sum '[La4 Tl2 Ag6]'
_cell_volume [330.8802]
_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  2  0.0000  0.0000  0.1296  1
  La  La1  2  0.0000  0.5000  0.8639  1
  Tl  Tl2  2  0.0000  0.5000  0.4572  1
  Ag  Ag3  2  0.0000  0.0000  0.5515  1
  Ag  Ag4  2  0.0000  0.0000  0.7010  1
  Ag  Ag5  2  0.0000  0.5000  0.2967  1
]