data_[Pr4Zn1Pb3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Zn  1.6500  1.3500  0.8800
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.5440]
_cell_length_b [4.6442]
_cell_length_c [11.9253]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Pr4ZnPb3]
_chemical_formula_sum '[Pr4 Zn1 Pb3]'
_cell_volume [251.6595]
_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
[
  Pr  Pr0  1  0.0000  0.0000  0.8664  1.0
  Pr  Pr1  1  0.0000  0.5000  0.3640  1.0
  Pr  Pr2  1  0.5000  0.0000  0.1294  1.0
  Pr  Pr3  1  0.5000  0.5000  0.6445  1.0
  Zn  Zn4  1  0.5000  0.5000  0.9188  1.0
  Pb  Pb5  1  0.0000  0.0000  0.5937  1.0
  Pb  Pb6  1  0.0000  0.5000  0.0797  1.0
  Pb  Pb7  1  0.5000  0.0000  0.4036  1.0
]