data_[La8Tl8Ag4]
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 [C2/m]
_cell_length_a [11.5632]
_cell_length_b [4.9146]
_cell_length_c [11.7282]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.8691]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Tl2Ag]
_chemical_formula_sum '[La8 Tl8 Ag4]'
_cell_volume [599.7131]
_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  0.0240  0.0000  0.3392  1.0
  La  La1  4  0.1743  0.0000  0.1065  1.0
  Tl  Tl2  4  0.0360  0.5000  0.8823  1.0
  Tl  Tl3  4  0.1446  0.5000  0.5721  1.0
  Ag  Ag4  4  0.2195  0.5000  0.3382  1.0
]