data_[La6Mg45Tl6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [10.3875]
_cell_length_b [10.3875]
_cell_length_c [15.2171]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Mg15Tl2]
_chemical_formula_sum '[La6 Mg45 Tl6]'
_cell_volume [1421.9476]
_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  6  0.0000  0.0000  0.3285  1
  Mg  Mg1  18  0.0000  0.3070  0.0000  1
  Mg  Mg2  18  0.0103  0.5052  0.1546  1
  Mg  Mg3  9  0.0000  0.5000  0.5000  1
  Tl  Tl4  6  0.0000  0.0000  0.1030  1
]