data_[Pr6Fe4Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.1370]
_cell_length_b [4.0915]
_cell_length_c [8.3162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.5958]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr3(FeNi2)2]
_chemical_formula_sum '[Pr6 Fe4 Ni8]'
_cell_volume [337.8761]
_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  0.1228  0.5000  0.3756  1.0
  Pr  Pr1  2  0.0000  0.0000  0.0000  1.0
  Fe  Fe2  4  0.1774  0.5000  0.7839  1.0
  Ni  Ni3  4  0.0891  0.0000  0.6405  1.0
  Ni  Ni4  4  0.2406  0.5000  0.0820  1.0
]