data_[La6Tl9Cd9]
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
  Cd  1.6900  1.5500  1.0900
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [5.4004]
_cell_length_b [5.4004]
_cell_length_c [26.1351]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [La2(TlCd)3]
_chemical_formula_sum '[La6 Tl9 Cd9]'
_cell_volume [660.0902]
_cell_formula_units_Z [3]
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  3  0.0000  0.0000  0.0006  1
  La  La1  3  0.0000  0.0000  0.4994  1
  Tl  Tl2  3  0.0000  0.0000  0.1258  1
  Tl  Tl3  3  0.0000  0.0000  0.6255  1
  Tl  Tl4  3  0.0000  0.0000  0.8736  1
  Cd  Cd5  3  0.0000  0.0000  0.2527  1
  Cd  Cd6  3  0.0000  0.0000  0.3750  1
  Cd  Cd7  3  0.0000  0.0000  0.7474  1
]