data_[Pr6Mg6Rh45]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Mg  1.3100  1.5000  0.8600
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [9.0794]
_cell_length_b [9.0794]
_cell_length_c [13.3524]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [Pr2Mg2Rh15]
_chemical_formula_sum '[Pr6 Mg6 Rh45]'
_cell_volume [953.2448]
_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  6  0.0000  0.0000  0.3490  1.0
  Mg  Mg1  6  0.0000  0.0000  0.1034  1.0
  Rh  Rh2  18  0.0000  0.2991  0.0000  1.0
  Rh  Rh3  18  0.0003  0.5002  0.1514  1.0
  Rh  Rh4  9  0.0000  0.5000  0.5000  1.0
]