data_[Pr8B4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  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 [10.9503]
_cell_length_b [5.4345]
_cell_length_c [6.7553]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.4555]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr2BC2]
_chemical_formula_sum '[Pr8 B4 C8]'
_cell_volume [353.4386]
_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  4  0.0923  0.0000  0.8372  1
  Pr  Pr1  4  0.1473  0.5000  0.2840  1
  B  B2  4  0.2038  0.5000  0.7561  1
  C  C3  4  0.1117  0.5000  0.8591  1
  C  C4  4  0.1682  0.0000  0.2674  1
]