data_[Pr2B3C2]
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 [P2/m]
_cell_length_a [3.5498]
_cell_length_b [3.9247]
_cell_length_c [6.9828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.9603]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Pr2B3C2]
_chemical_formula_sum '[Pr2 B3 C2]'
_cell_volume [95.5107]
_cell_formula_units_Z [1]
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  0.3293  0.5000  0.7349  1.0
  B  B1  2  0.2320  0.0000  0.4320  1.0
  B  B2  1  0.0000  0.0000  0.0000  1.0
  C  C3  2  0.1358  0.0000  0.2083  1.0
]