data_[Pr4B3Rh12]
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 [P4/mmm]
_cell_length_a [4.2803]
_cell_length_b [4.2803]
_cell_length_c [16.7162]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Pr4(BRh4)3]
_chemical_formula_sum '[Pr4 B3 Rh12]'
_cell_volume [306.2568]
_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  0.0000  0.0000  0.1201  1.0
  Pr  Pr1  2  0.0000  0.0000  0.3739  1.0
  B  B2  2  0.5000  0.5000  0.2393  1.0
  B  B3  1  0.5000  0.5000  0.5000  1.0
  Rh  Rh4  4  0.0000  0.5000  0.2466  1.0
  Rh  Rh5  2  0.0000  0.5000  0.0000  1.0
  Rh  Rh6  2  0.0000  0.5000  0.5000  1.0
  Rh  Rh7  2  0.5000  0.5000  0.1149  1.0
  Rh  Rh8  2  0.5000  0.5000  0.3709  1.0
]