data_[Mg12Zn2Pb6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.0804]
_cell_length_b [5.0831]
_cell_length_c [11.2486]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.9194]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Mg6ZnPb3]
_chemical_formula_sum '[Mg12 Zn2 Pb6]'
_cell_volume [481.6661]
_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  2  0.0640  0.7500  0.8541  1
  Mg  Mg1  2  0.1359  0.2500  0.6957  1
  Mg  Mg2  2  0.1504  0.7500  0.1722  1
  Mg  Mg3  2  0.2208  0.7500  0.4824  1
  Mg  Mg4  2  0.2900  0.2500  0.3325  1
  Mg  Mg5  2  0.4561  0.7500  0.0775  1
  Zn  Zn6  2  0.0292  0.2500  0.4205  1
  Pb  Pb7  2  0.2135  0.2500  0.0216  1
  Pb  Pb8  2  0.3592  0.7500  0.7801  1
  Pb  Pb9  2  0.4881  0.2500  0.6203  1
]