data_[Pr6Zn8Fe4]
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
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.5617]
_cell_length_b [4.5091]
_cell_length_c [8.5400]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.2573]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(Zn2Fe)2]
_chemical_formula_sum '[Pr6 Zn8 Fe4]'
_cell_volume [379.0350]
_cell_formula_units_Z [2]
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  4  0.1065  0.5000  0.3699  1
  Pr  Pr1  2  0.0000  0.0000  0.0000  1
  Zn  Zn2  4  0.1032  0.0000  0.6428  1
  Zn  Zn3  4  0.2172  0.5000  0.0612  1
  Fe  Fe4  4  0.2096  0.5000  0.7604  1
]