data_[Zr1Zn2Pb1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [3.2047]
_cell_length_b [4.3975]
_cell_length_c [5.9324]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2424]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [ZrZn2Pb]
_chemical_formula_sum '[Zr1 Zn2 Pb1]'
_cell_volume [83.2532]
_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  1  0.5138  0.0000  0.4634  1
  Zn  Zn1  1  0.9133  0.0000  0.0334  1
  Zn  Zn2  1  0.9590  0.5000  0.2553  1
  Pb  Pb3  1  0.1140  0.5000  0.7480  1
]