data_[La12Tl12Ag8]
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 [Cmcm]
_cell_length_a [4.8921]
_cell_length_b [11.4726]
_cell_length_c [16.3909]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [La3Tl3Ag2]
_chemical_formula_sum '[La12 Tl12 Ag8]'
_cell_volume [919.9401]
_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  8  0.0000  0.0940  0.6054  1
  La  La1  4  0.0000  0.3494  0.7500  1
  Tl  Tl2  8  0.0000  0.3840  0.5427  1
  Tl  Tl3  4  0.0000  0.3645  0.2500  1
  Ag  Ag4  8  0.0000  0.2082  0.1056  1
]