data_[La4Y8Tl8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.3389]
_cell_length_b [5.3471]
_cell_length_c [9.3828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.1681]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La(YTl)2]
_chemical_formula_sum '[La4 Y8 Tl8]'
_cell_volume [600.2240]
_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  0.0665  0.0000  0.3560  1.0
  Y  Y1  4  0.0715  0.5000  0.8648  1.0
  Y  Y2  4  0.2458  0.5000  0.2440  1.0
  Tl  Tl3  4  0.1335  0.0000  0.0384  1.0
  Tl  Tl4  4  0.1352  0.5000  0.5600  1.0
]