data_[Mg4Tl8Pb12]
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 [C2/c]
_cell_length_a [12.5736]
_cell_length_b [9.5037]
_cell_length_c [6.1247]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.9397]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgTl2Pb3]
_chemical_formula_sum '[Mg4 Tl8 Pb12]'
_cell_volume [724.8665]
_cell_formula_units_Z [4]
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  0.0692  0.7500  1
  Tl  Tl1  8  0.1224  0.2433  0.3865  1
  Pb  Pb2  8  0.2449  0.0771  0.9819  1
  Pb  Pb3  4  0.0000  0.4225  0.7500  1
]