data_[Ba3Mg2Zn2Pb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P-3m1]
_cell_length_a [4.8557]
_cell_length_b [4.8557]
_cell_length_c [18.4910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Ba3Mg2(ZnPb2)2]
_chemical_formula_sum '[Ba3 Mg2 Zn2 Pb4]'
_cell_volume [377.5656]
_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
[
  Ba  Ba0  2  0.0000  0.0000  0.2695  1
  Ba  Ba1  1  0.0000  0.0000  0.0000  1
  Mg  Mg2  2  0.3333  0.6667  0.5505  1
  Zn  Zn3  2  0.3333  0.6667  0.1405  1
  Pb  Pb4  2  0.3333  0.6667  0.3892  1
  Pb  Pb5  2  0.3333  0.6667  0.8691  1
]