data_[Mg1Tl6Pb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Tl  1.6200  1.9000  1.3325
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.5631]
_cell_length_b [3.5631]
_cell_length_c [24.9346]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Mg(Tl3Pb)2]
_chemical_formula_sum '[Mg1 Tl6 Pb2]'
_cell_volume [274.1504]
_cell_formula_units_Z [1]
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
[
  Mg  Mg0  1  0.0000  0.0000  0.0000  1.0
  Tl  Tl1  2  0.0000  0.0000  0.2091  1.0
  Tl  Tl2  2  0.0000  0.0000  0.4360  1.0
  Tl  Tl3  2  0.3333  0.6667  0.0966  1.0
  Pb  Pb4  2  0.3333  0.6667  0.6762  1.0
]