data_[Mg10Tl2Pb12]
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 [Cmmm]
_cell_length_a [4.7601]
_cell_length_b [15.1619]
_cell_length_c [9.0597]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Mg5TlPb6]
_chemical_formula_sum '[Mg10 Tl2 Pb12]'
_cell_volume [653.8503]
_cell_formula_units_Z [2]
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  4  0.0000  0.3302  0.5000  1
  Mg  Mg1  4  0.0000  0.3304  0.0000  1
  Mg  Mg2  2  0.0000  0.0000  0.5000  1
  Tl  Tl3  2  0.0000  0.0000  0.0000  1
  Pb  Pb4  8  0.0000  0.1679  0.2571  1
  Pb  Pb5  4  0.0000  0.5000  0.2716  1
]