data_[Zr4Cd1P2Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cd  1.6900  1.5500  1.0900
  P  2.1900  1.0000  0.5500
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [3.6476]
_cell_length_b [3.6476]
_cell_length_c [15.0886]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [187]
_chemical_formula_structural [Zr4CdP2Pb]
_chemical_formula_sum '[Zr4 Cd1 P2 Pb1]'
_cell_volume [173.8583]
_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
[
  Zr  Zr0  2  0.0000  0.0000  0.3441  1
  Zr  Zr1  2  0.6667  0.3333  0.1531  1
  Cd  Cd2  1  0.0000  0.0000  0.0000  1
  P  P3  2  0.3333  0.6667  0.2476  1
  Pb  Pb4  1  0.6667  0.3333  0.5000  1
]