data_[Pr12Ni2Rh4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Ni  1.9100  1.3500  0.7400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.1346]
_cell_length_b [4.1760]
_cell_length_c [10.0225]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.5174]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Pr6NiRh2]
_chemical_formula_sum '[Pr12 Ni2 Rh4]'
_cell_volume [542.4458]
_cell_formula_units_Z [2]
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  4  0.0705  0.0000  0.8118  1.0
  Pr  Pr1  4  0.1474  0.5000  0.5536  1.0
  Pr  Pr2  4  0.1486  0.5000  0.1488  1.0
  Ni  Ni3  2  0.0000  0.0000  0.5000  1.0
  Rh  Rh4  4  0.2225  0.5000  0.8828  1.0
]