data_[Mg3Tl7Pb1]
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 [P3m1]
_cell_length_a [7.0406]
_cell_length_b [7.0406]
_cell_length_c [7.4773]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Mg3Tl7Pb]
_chemical_formula_sum '[Mg3 Tl7 Pb1]'
_cell_volume [320.9894]
_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  3  0.1680  0.3361  0.2163  1
  Tl  Tl1  3  0.3472  0.1736  0.9099  1
  Tl  Tl2  3  0.5068  0.0136  0.5238  1
  Tl  Tl3  1  0.3333  0.6667  0.8824  1
  Pb  Pb4  1  0.0000  0.0000  0.5524  1
]