data_[Pr1Sn6Rh6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Sn  1.9600  1.4500  0.8300
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.6820]
_cell_length_b [5.6820]
_cell_length_c [8.8404]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Pr(SnRh)6]
_chemical_formula_sum '[Pr1 Sn6 Rh6]'
_cell_volume [247.1734]
_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  1  0.0000  0.0000  0.0000  1
  Sn  Sn1  2  0.0000  0.0000  0.3395  1
  Sn  Sn2  2  0.3333  0.6667  0.0000  1
  Sn  Sn3  2  0.3333  0.6667  0.5000  1
  Rh  Rh4  6  0.0000  0.5000  0.2504  1
]