data_[Pr3B3Rh6]
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
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P6_222]
_cell_length_a [5.5330]
_cell_length_b [5.5330]
_cell_length_c [7.5605]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [180]
_chemical_formula_structural [PrBRh2]
_chemical_formula_sum '[Pr3 B3 Rh6]'
_cell_volume [200.4486]
_cell_formula_units_Z [3]
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  3  0.0000  0.5000  0.1667  1.0
  B  B1  3  0.0000  0.5000  0.6667  1.0
  Rh  Rh2  6  0.1454  0.2908  0.5000  1.0
]