data_[Pr4Zn4]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.7621]
_cell_length_b [7.6078]
_cell_length_c [5.4783]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [PrZn]
_chemical_formula_sum '[Pr4 Zn4]'
_cell_volume [198.4699]
_cell_formula_units_Z [4]
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  2  0.5000  0.2992  0.1439  1
  Pr  Pr1  1  0.0000  0.0000  0.0831  1
  Pr  Pr2  1  0.5000  0.0000  0.6073  1
  Zn  Zn3  2  0.0000  0.2806  0.5600  1
  Zn  Zn4  1  0.0000  0.5000  0.9247  1
  Zn  Zn5  1  0.5000  0.5000  0.6438  1
]