data_[Pr4Fe4B4C2]
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
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3754]
_cell_length_b [3.6870]
_cell_length_c [6.7277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.6667]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2Fe2B2C]
_chemical_formula_sum '[Pr4 Fe4 B4 C2]'
_cell_volume [209.0842]
_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  0.0620  0.5000  0.3159  1.0
  Fe  Fe1  4  0.1982  0.0000  0.0818  1.0
  B  B2  4  0.2101  0.0000  0.7919  1.0
  C  C3  2  0.0000  0.0000  0.0000  1.0
]