data_[Mg6Sn6Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.5547]
_cell_length_b [4.7749]
_cell_length_c [19.3447]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Mg3Sn3Pb2]
_chemical_formula_sum '[Mg6 Sn6 Pb4]'
_cell_volume [420.7084]
_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  0.0000  0.1192  1.0
  Mg  Mg1  2  0.0000  0.5000  0.0000  1.0
  Sn  Sn2  4  0.0000  0.0000  0.3840  1.0
  Sn  Sn3  2  0.0000  0.5000  0.5000  1.0
  Pb  Pb4  4  0.0000  0.5000  0.2511  1.0
]