data_[Pr3B2P1Rh9]
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
  P  2.1900  1.0000  0.5500
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [6.1377]
_cell_length_b [6.1377]
_cell_length_c [7.5310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [164]
_chemical_formula_structural [Pr3B2PRh9]
_chemical_formula_sum '[Pr3 B2 P1 Rh9]'
_cell_volume [245.6968]
_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  0.3333  0.6667  0.3302  1.0
  Pr  Pr1  1  0.0000  0.0000  0.0000  1.0
  B  B2  2  0.3333  0.6667  0.8486  1.0
  P  P3  1  0.0000  0.0000  0.5000  1.0
  Rh  Rh4  6  0.1741  0.3481  0.6745  1.0
  Rh  Rh5  3  0.0000  0.5000  0.0000  1.0
]