data_[Zn6Ga2Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0437]
_cell_length_b [4.0437]
_cell_length_c [9.9281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Zn6Ga2Pb]
_chemical_formula_sum '[Zn6 Ga2 Pb1]'
_cell_volume [162.3348]
_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
[
  Zn  Zn0  4  0.0000  0.5000  0.3097  1
  Zn  Zn1  1  0.0000  0.0000  0.5000  1
  Zn  Zn2  1  0.5000  0.5000  0.5000  1
  Ga  Ga3  2  0.5000  0.5000  0.1363  1
  Pb  Pb4  1  0.0000  0.0000  0.0000  1
]